N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

C117H171Cl4F3N24O9 — CID 158307952

IUPACN-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ncccc2Cl)C1.CC(C)(C)N1CCC(NC(=O)c2ncccc2F)C1.CC(C)N1CCC(C)(NC(=O)c2ccccn2)CC1.CC(C)N1CCC(C)(NC(=O)c2ncc(F)cc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)C1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2F)C1.COc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2.C15H21ClFN3O.C15H22ClN3O.C15H23N3O.2C14H20ClN3O.2C14H20FN3O/c1-12(2)19-9-7-16(3,8-10-19)18-15(20)13-5-6-14(21-4)17-11-13;1-10(2)20-6-4-15(3,5-7-20)19-14(21)13-12(16)8-11(17)9-18-13;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-12(2)18-10-7-15(3,8-11-18)17-14(19)13-6-4-5-9-16-13;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-10(2)18-8-6-14(3,9-18)17-13(19)12-11(15)5-4-7-16-12;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-10(2)18-8-6-14(3,9-18)17-13(19)12-11(15)5-4-7-16-12/h5-6,11-12H,7-10H2,1-4H3,(H,18,20);8-10H,4-7H2,1-3H3,(H,19,21);4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19);4*4-5,7,10H,6,8-9H2,1-3H3,(H,17,19)
InChIKeyGNHYUZPDGXCBEQ-UHFFFAOYSA-N
MW2256.62 g/mol
LogP18.07
Rot. Bonds23

About N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 158307952) has the molecular formula C117H171Cl4F3N24O9 and a molecular weight of 2256.62 g/mol. Its IUPAC name is N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID158307952
Molecular FormulaC117H171Cl4F3N24O9
Molecular Weight2256.62 g/mol
Exact Mass2253.24
IUPAC NameN-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ncccc2Cl)C1.CC(C)(C)N1CCC(NC(=O)c2ncccc2F)C1.CC(C)N1CCC(C)(NC(=O)c2ccccn2)CC1.CC(C)N1CCC(C)(NC(=O)c2ncc(F)cc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)C1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2F)C1.COc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2.C15H21ClFN3O.C15H22ClN3O.C15H23N3O.2C14H20ClN3O.2C14H20FN3O/c1-12(2)19-9-7-16(3,8-10-19)18-15(20)13-5-6-14(21-4)17-11-13;1-10(2)20-6-4-15(3,5-7-20)19-14(21)13-12(16)8-11(17)9-18-13;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-12(2)18-10-7-15(3,8-11-18)17-14(19)13-6-4-5-9-16-13;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-10(2)18-8-6-14(3,9-18)17-13(19)12-11(15)5-4-7-16-12;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-10(2)18-8-6-14(3,9-18)17-13(19)12-11(15)5-4-7-16-12/h5-6,11-12H,7-10H2,1-4H3,(H,18,20);8-10H,4-7H2,1-3H3,(H,19,21);4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19);4*4-5,7,10H,6,8-9H2,1-3H3,(H,17,19)
InChIKeyGNHYUZPDGXCBEQ-UHFFFAOYSA-N
XLogP18.07
TPSA371.07 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002256.62
LogP ≤ 518.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (CID 158307952) is N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is CC(C)(C)N1CCC(NC(=O)c2ncccc2Cl)C1.CC(C)(C)N1CCC(NC(=O)c2ncccc2F)C1.CC(C)N1CCC(C)(NC(=O)c2ccccn2)CC1.CC(C)N1CCC(C)(NC(=O)c2ncc(F)cc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)C1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2F)C1.COc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1.
What is the InChIKey of N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is GNHYUZPDGXCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.C15H21ClFN3O.C15H22ClN3O.C15H23N3O.2C14H20ClN3O.2C14H20FN3O/c1-12(2)19-9-7-16(3,8-10-19)18-15(20)13-5-6-14(21-4)17-11-13;1-10(2)20-6-4-15(3,5-7-20)19-14(21)13-12(16)8-11(17)9-18-13;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-12(2)18-10-7-15(3,8-11-18)17-14(19)13-6-4-5-9-16-13;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-10(2)18-8-6-14(3,9-18)17-13(19)12-11(15)5-4-7-16-12;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-10(2)18-8-6-14(3,9-18)17-13(19)12-11(15)5-4-7-16-12/h5-6,11-12H,7-10H2,1-4H3,(H,18,20);8-10H,4-7H2,1-3H3,(H,19,21);4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19);4*4-5,7,10H,6,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 2256.62 g/mol, XLogP of 18.07, 23 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3-fluoro-N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158307952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).