4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C17H23N3O — CID 72713741

IUPAC4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2[nH]c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c(C)n1
InChIInChI=1S/C17H23N3O/c1-10-6-4-5-7-14(10)20-17(21)16-9-13-12(3)18-11(2)8-15(13)19-16/h8-10,14,19H,4-7H2,1-3H3,(H,20,21)/t10-,14+/m0/s1
InChIKeyXOBNVXQHWQJFOR-IINYFYTJSA-N
MW285.39 g/mol
LogP3.49
Rot. Bonds2

About 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 72713741) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID72713741
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2[nH]c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c(C)n1
InChIInChI=1S/C17H23N3O/c1-10-6-4-5-7-14(10)20-17(21)16-9-13-12(3)18-11(2)8-15(13)19-16/h8-10,14,19H,4-7H2,1-3H3,(H,20,21)/t10-,14+/m0/s1
InChIKeyXOBNVXQHWQJFOR-IINYFYTJSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

4,5-dimethyl-N-(2-methylcyclopentyl)-1H-indole-2-carboxamide
CID 86963857
2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
CID 11897305
5-cyclopropyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 46578014
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 72713741) is 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cc1cc2[nH]c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c(C)n1.
What is the InChIKey of 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is XOBNVXQHWQJFOR-IINYFYTJSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-6-4-5-7-14(10)20-17(21)16-9-13-12(3)18-11(2)8-15(13)19-16/h8-10,14,19H,4-7H2,1-3H3,(H,20,21)/t10-,14+/m0/s1.
What are the key properties of 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 72713741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).