N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide

C105H173ClFN25O8 — CID 159780661

IUPACN-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N1CCC(C)(N(C)C(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ccn(C)n2)CC1.CC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1.CC1(NC(=O)c2ncccc2F)CCN(C(C)(C)C)C1.Cc1nc(C(=O)NC2(C)CCN(C(C)C)CC2)co1.Cc1ncn(C)c1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1nn(C)cc1C(=O)NC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C16H24ClN3O.C16H28N4O.C15H22FN3O.2C15H26N4O.C14H24N4O.C14H23N3O2/c1-12(2)20-10-7-16(3,8-11-20)19(4)15(21)14-13(17)6-5-9-18-14;1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4;1-14(2,3)19-9-7-15(4,10-19)18-13(20)12-11(16)6-5-8-17-12;1-11(2)19-8-6-15(4,7-9-19)17-14(20)13-12(3)16-10-18(13)5;1-11(2)19-8-6-15(4,7-9-19)16-14(20)13-10-18(5)17-12(13)3;1-11(2)18-9-6-14(3,7-10-18)15-13(19)12-5-8-17(4)16-12;1-10(2)17-7-5-14(4,6-8-17)16-13(18)12-9-19-11(3)15-12/h5-6,9,12H,7-8,10-11H2,1-4H3;10-13H,6-9H2,1-5H3,(H,18,21);5-6,8H,7,9-10H2,1-4H3,(H,18,20);10-11H,6-9H2,1-5H3,(H,17,20);10-11H,6-9H2,1-5H3,(H,16,20);5,8,11H,6-7,9-10H2,1-4H3,(H,15,19);9-10H,5-8H2,1-4H3,(H,16,18)
InChIKeyNHHXKRADAJFWSR-UHFFFAOYSA-N
MW1968.16 g/mol
LogP14.57
Rot. Bonds21

About N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide

N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 159780661) has the molecular formula C105H173ClFN25O8 and a molecular weight of 1968.16 g/mol. Its IUPAC name is N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID159780661
Molecular FormulaC105H173ClFN25O8
Molecular Weight1968.16 g/mol
Exact Mass1966.36
IUPAC NameN-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N1CCC(C)(N(C)C(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ccn(C)n2)CC1.CC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1.CC1(NC(=O)c2ncccc2F)CCN(C(C)(C)C)C1.Cc1nc(C(=O)NC2(C)CCN(C(C)C)CC2)co1.Cc1ncn(C)c1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1nn(C)cc1C(=O)NC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C16H24ClN3O.C16H28N4O.C15H22FN3O.2C15H26N4O.C14H24N4O.C14H23N3O2/c1-12(2)20-10-7-16(3,8-11-20)19(4)15(21)14-13(17)6-5-9-18-14;1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4;1-14(2,3)19-9-7-15(4,10-19)18-13(20)12-11(16)6-5-8-17-12;1-11(2)19-8-6-15(4,7-9-19)17-14(20)13-12(3)16-10-18(13)5;1-11(2)19-8-6-15(4,7-9-19)16-14(20)13-10-18(5)17-12(13)3;1-11(2)18-9-6-14(3,7-10-18)15-13(19)12-5-8-17(4)16-12;1-10(2)17-7-5-14(4,6-8-17)16-13(18)12-9-19-11(3)15-12/h5-6,9,12H,7-8,10-11H2,1-4H3;10-13H,6-9H2,1-5H3,(H,18,21);5-6,8H,7,9-10H2,1-4H3,(H,18,20);10-11H,6-9H2,1-5H3,(H,17,20);10-11H,6-9H2,1-5H3,(H,16,20);5,8,11H,6-7,9-10H2,1-4H3,(H,15,19);9-10H,5-8H2,1-4H3,(H,16,18)
InChIKeyNHHXKRADAJFWSR-UHFFFAOYSA-N
XLogP14.57
TPSA340.68 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001968.16
LogP ≤ 514.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide (CID 159780661) is N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide is CC(C)N1CCC(C)(N(C)C(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ccn(C)n2)CC1.CC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1.CC1(NC(=O)c2ncccc2F)CCN(C(C)(C)C)C1.Cc1nc(C(=O)NC2(C)CCN(C(C)C)CC2)co1.Cc1ncn(C)c1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1nn(C)cc1C(=O)NC1(C)CCN(C(C)C)CC1.
What is the InChIKey of N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NHHXKRADAJFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.C16H28N4O.C15H22FN3O.2C15H26N4O.C14H24N4O.C14H23N3O2/c1-12(2)20-10-7-16(3,8-11-20)19(4)15(21)14-13(17)6-5-9-18-14;1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4;1-14(2,3)19-9-7-15(4,10-19)18-13(20)12-11(16)6-5-8-17-12;1-11(2)19-8-6-15(4,7-9-19)17-14(20)13-12(3)16-10-18(13)5;1-11(2)19-8-6-15(4,7-9-19)16-14(20)13-10-18(5)17-12(13)3;1-11(2)18-9-6-14(3,7-10-18)15-13(19)12-5-8-17(4)16-12;1-10(2)17-7-5-14(4,6-8-17)16-13(18)12-9-19-11(3)15-12/h5-6,9,12H,7-8,10-11H2,1-4H3;10-13H,6-9H2,1-5H3,(H,18,21);5-6,8H,7,9-10H2,1-4H3,(H,18,20);10-11H,6-9H2,1-5H3,(H,17,20);10-11H,6-9H2,1-5H3,(H,16,20);5,8,11H,6-7,9-10H2,1-4H3,(H,15,19);9-10H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 1968.16 g/mol, XLogP of 14.57, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 159780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).