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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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

C104H153Cl4F2N21O8 — CID 159342516

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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.COc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2.C15H21ClFN3O.2C15H22ClN3O.C15H23N3O.C14H20ClN3O.C14H20FN3O/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;2*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;2*1-14(2,3)18-8-6-10(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);2*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);2*4-5,7,10H,6,8-9H2,1-3H3,(H,17,19)
InChIKeyLGHQOMBHLCFKEI-UHFFFAOYSA-N
MW2005.31 g/mol
LogP16.64
Rot. Bonds20

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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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 159342516) has the molecular formula C104H153Cl4F2N21O8 and a molecular weight of 2005.31 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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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 CID159342516
Molecular FormulaC104H153Cl4F2N21O8
Molecular Weight2005.31 g/mol
Exact Mass2002.09
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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.COc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2.C15H21ClFN3O.2C15H22ClN3O.C15H23N3O.C14H20ClN3O.C14H20FN3O/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;2*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;2*1-14(2,3)18-8-6-10(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);2*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);2*4-5,7,10H,6,8-9H2,1-3H3,(H,17,19)
InChIKeyLGHQOMBHLCFKEI-UHFFFAOYSA-N
XLogP16.64
TPSA325.84 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002005.31
LogP ≤ 516.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

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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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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 159342516) 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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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 LGHQOMBHLCFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.C15H21ClFN3O.2C15H22ClN3O.C15H23N3O.C14H20ClN3O.C14H20FN3O/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;2*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;2*1-14(2,3)18-8-6-10(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);2*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);2*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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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 2005.31 g/mol, XLogP of 16.64, 20 rotatable bonds, 7 hydrogen bond donors, and 22 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;bis(3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-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 159342516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).