2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C29H35N5O4S — CID 138545793

IUPAC2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(OC(C)C)nc3)nc2N2C(C)CC3CCCCC32)n1
InChIInChI=1S/C29H35N5O4S/c1-18(2)38-26-15-12-22(17-30-26)24-14-13-23(29(35)33-39(36,37)27-11-7-8-19(3)31-27)28(32-24)34-20(4)16-21-9-5-6-10-25(21)34/h7-8,11-15,17-18,20-21,25H,5-6,9-10,16H2,1-4H3,(H,33,35)
InChIKeyHQJPCIMGRXCSHN-UHFFFAOYSA-N
MW549.70 g/mol
LogP4.91
Rot. Bonds7

About 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 138545793) has the molecular formula C29H35N5O4S and a molecular weight of 549.70 g/mol. Its IUPAC name is 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID138545793
Molecular FormulaC29H35N5O4S
Molecular Weight549.70 g/mol
Exact Mass549.24
IUPAC Name2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(OC(C)C)nc3)nc2N2C(C)CC3CCCCC32)n1
InChIInChI=1S/C29H35N5O4S/c1-18(2)38-26-15-12-22(17-30-26)24-14-13-23(29(35)33-39(36,37)27-11-7-8-19(3)31-27)28(32-24)34-20(4)16-21-9-5-6-10-25(21)34/h7-8,11-15,17-18,20-21,25H,5-6,9-10,16H2,1-4H3,(H,33,35)
InChIKeyHQJPCIMGRXCSHN-UHFFFAOYSA-N
XLogP4.91
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.70
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 161423726
2-(benzylamino)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 131989980
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 167607513
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251123
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 160560665
N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250870
N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 160977005
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515787
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252612
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide
CID 121252522
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250578
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide
CID 158488034

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 138545793) is 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(OC(C)C)nc3)nc2N2C(C)CC3CCCCC32)n1.
What is the InChIKey of 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is HQJPCIMGRXCSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4S/c1-18(2)38-26-15-12-22(17-30-26)24-14-13-23(29(35)33-39(36,37)27-11-7-8-19(3)31-27)28(32-24)34-20(4)16-21-9-5-6-10-25(21)34/h7-8,11-15,17-18,20-21,25H,5-6,9-10,16H2,1-4H3,(H,33,35).
What are the key properties of 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 549.70 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 138545793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).