N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C100H124ClF4N19O14S4 — CID 158490447

About N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 158490447) has the molecular formula C100H124ClF4N19O14S4 and a molecular weight of 2055.92 g/mol. Its IUPAC name is N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158490447
• Molecular Formula: C100H124ClF4N19O14S4
• Molecular Weight: 2055.92 g/mol
• Exact Mass: 2053.81
• IUPAC Name: N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)Oc1ccccc1-c1ccc(C(=O)NS(=O)(=O)N2CC[C@H](N)C2)c(N2C[C@@H](C)CC2(C)C)n1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCC3=C(Cl)C=C(F)CC3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(-c3ccc(C(F)(F)F)cc3)ccc2C(=O)NS(=O)(=O)N2CC[C@@H](N)C2)C(C)(C)C1.Cc1ccccc1Nc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1
• InChI: InChI=1S/C26H37N5O4S.C25H28ClFN4O4S.C25H29N5O3S.C24H30F3N5O3S/c1-17(2)35-23-9-7-6-8-20(23)22-11-10-21(24(28-22)31-15-18(3)14-26(31,4)5)25(32)29-36(33,34)30-13-12-19(27)16-30;1-16-13-25(2,3)31(14-16)23-19(6-5-11-28-23)24(32)30-36(33,34)22-8-4-7-21(29-22)35-15-17-9-10-18(27)12-20(17)26;1-17-15-25(3,4)30(16-17)23-19(10-8-14-26-23)24(31)29-34(32,33)22-13-7-12-21(28-22)27-20-11-6-5-9-18(20)2;1-15-12-23(2,3)32(13-15)21-19(22(33)30-36(34,35)31-11-10-18(28)14-31)8-9-20(29-21)16-4-6-17(7-5-16)24(25,26)27/h6-11,17-19H,12-16,27H2,1-5H3,(H,29,32);4-8,11-12,16H,9-10,13-15H2,1-3H3,(H,30,32);5-14,17H,15-16H2,1-4H3,(H,27,28)(H,29,31);4-9,15,18H,10-14,28H2,1-3H3,(H,30,33)/t18-,19-;;;15-,18+/m0..0/s1
• InChIKey: HIPZLTVPDYGJOV-QFWFDOKKSA-N
• XLogP: 15.58
• TPSA: 432.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.92
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 158490447) is N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)Oc1ccccc1-c1ccc(C(=O)NS(=O)(=O)N2CC[C@H](N)C2)c(N2C[C@@H](C)CC2(C)C)n1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCC3=C(Cl)C=C(F)CC3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(-c3ccc(C(F)(F)F)cc3)ccc2C(=O)NS(=O)(=O)N2CC[C@@H](N)C2)C(C)(C)C1.Cc1ccccc1Nc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.

What is the InChIKey of N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is HIPZLTVPDYGJOV-QFWFDOKKSA-N. The full InChI is InChI=1S/C26H37N5O4S.C25H28ClFN4O4S.C25H29N5O3S.C24H30F3N5O3S/c1-17(2)35-23-9-7-6-8-20(23)22-11-10-21(24(28-22)31-15-18(3)14-26(31,4)5)25(32)29-36(33,34)30-13-12-19(27)16-30;1-16-13-25(2,3)31(14-16)23-19(6-5-11-28-23)24(32)30-36(33,34)22-8-4-7-21(29-22)35-15-17-9-10-18(27)12-20(17)26;1-17-15-25(3,4)30(16-17)23-19(10-8-14-26-23)24(31)29-34(32,33)22-13-7-12-21(28-22)27-20-11-6-5-9-18(20)2;1-15-12-23(2,3)32(13-15)21-19(22(33)30-36(34,35)31-11-10-18(28)14-31)8-9-20(29-21)16-4-6-17(7-5-16)24(25,26)27/h6-11,17-19H,12-16,27H2,1-5H3,(H,29,32);4-8,11-12,16H,9-10,13-15H2,1-3H3,(H,30,32);5-14,17H,15-16H2,1-4H3,(H,27,28)(H,29,31);4-9,15,18H,10-14,28H2,1-3H3,(H,30,33)/t18-,19-;;;15-,18+/m0..0/s1.

What are the key properties of N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2055.92 g/mol, XLogP of 15.58, 25 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(2-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(2-chloro-4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158490447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).