N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

C106H148N20O14S4 — CID 160770514

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 160770514) has the molecular formula C106H148N20O14S4 and a molecular weight of 2054.74 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
• PubChem CID: 160770514
• Molecular Formula: C106H148N20O14S4
• Molecular Weight: 2054.74 g/mol
• Exact Mass: 2053.04
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
• SMILES: CC(C)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.CC12C=CC(CC1)C2(C)C.COCC1CC1c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(C3=CC4CCC3C4)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)nc1C(C)(C)C
• InChI: InChI=1S/C29H39N5O3S.C23H31N5O4S.C23H33N5O3S.C21H29N5O4S.C10H16/c1-17-15-29(5,6)34(16-17)26-22(27(35)33-38(36,37)24-9-7-8-23(30)31-24)14-21(25(32-26)28(2,3)4)20-13-18-10-11-19(20)12-18;1-14-11-23(2,3)28(12-14)21-16(8-9-18(25-21)17-10-15(17)13-32-4)22(29)27-33(30,31)20-7-5-6-19(24)26-20;1-14-12-23(6,7)28(13-14)20-16(11-15(2)19(26-20)22(3,4)5)21(29)27-32(30,31)18-10-8-9-17(24)25-18;1-13(2)30-17-10-9-15(19(24-17)26-12-14(3)11-21(26,4)5)20(27)25-31(28,29)18-8-6-7-16(22)23-18;1-9(2)8-4-6-10(9,3)7-5-8/h7-9,13-14,17-19H,10-12,15-16H2,1-6H3,(H2,30,31)(H,33,35);5-9,14-15,17H,10-13H2,1-4H3,(H2,24,26)(H,27,29);8-11,14H,12-13H2,1-7H3,(H2,24,25)(H,27,29);6-10,13-14H,11-12H2,1-5H3,(H2,22,23)(H,25,27);4,6,8H,5,7H2,1-3H3/t17-,18?,19?;14-,15?,17?;;14-;/m00.0./s1
• InChIKey: RZGFLXGGIRGCHJ-FYXIXEDLSA-N
• XLogP: 16.46
• TPSA: 491.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.74
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 160770514) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is CC(C)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.CC12C=CC(CC1)C2(C)C.COCC1CC1c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(C3=CC4CCC3C4)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)nc1C(C)(C)C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?

The InChIKey is RZGFLXGGIRGCHJ-FYXIXEDLSA-N. The full InChI is InChI=1S/C29H39N5O3S.C23H31N5O4S.C23H33N5O3S.C21H29N5O4S.C10H16/c1-17-15-29(5,6)34(16-17)26-22(27(35)33-38(36,37)24-9-7-8-23(30)31-24)14-21(25(32-26)28(2,3)4)20-13-18-10-11-19(20)12-18;1-14-11-23(2,3)28(12-14)21-16(8-9-18(25-21)17-10-15(17)13-32-4)22(29)27-33(30,31)20-7-5-6-19(24)26-20;1-14-12-23(6,7)28(13-14)20-16(11-15(2)19(26-20)22(3,4)5)21(29)27-32(30,31)18-10-8-9-17(24)25-18;1-13(2)30-17-10-9-15(19(24-17)26-12-14(3)11-21(26,4)5)20(27)25-31(28,29)18-8-6-7-16(22)23-18;1-9(2)8-4-6-10(9,3)7-5-8/h7-9,13-14,17-19H,10-12,15-16H2,1-6H3,(H2,30,31)(H,33,35);5-9,14-15,17H,10-13H2,1-4H3,(H2,24,26)(H,27,29);8-11,14H,12-13H2,1-7H3,(H2,24,25)(H,27,29);6-10,13-14H,11-12H2,1-5H3,(H2,22,23)(H,25,27);4,6,8H,5,7H2,1-3H3/t17-,18?,19?;14-,15?,17?;;14-;/m00.0./s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 2054.74 g/mol, XLogP of 16.46, 22 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-bicyclo[2.2.1]hept-2-enyl)-6-tert-butyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 160770514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).