6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide

C24H31N3O3 — CID 99809452

IUPAC6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C24H31N3O3/c28-21-7-3-4-8-22(21)30-20-12-10-19(11-13-20)26-24(29)18-9-14-23(25-17-18)27-15-5-1-2-6-16-27/h9-14,17,21-22,28H,1-8,15-16H2,(H,26,29)/t21-,22+/m0/s1
InChIKeyRHHJYDMDJLSTMN-FCHUYYIVSA-N
MW409.53 g/mol
LogP4.40
Rot. Bonds5

About 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide (PubChem CID 99809452) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide
PubChem CID99809452
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C24H31N3O3/c28-21-7-3-4-8-22(21)30-20-12-10-19(11-13-20)26-24(29)18-9-14-23(25-17-18)27-15-5-1-2-6-16-27/h9-14,17,21-22,28H,1-8,15-16H2,(H,26,29)/t21-,22+/m0/s1
InChIKeyRHHJYDMDJLSTMN-FCHUYYIVSA-N
XLogP4.40
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 120515766
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
6-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161701
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99809239
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide (CID 99809452) is 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide?
The InChIKey is RHHJYDMDJLSTMN-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-21-7-3-4-8-22(21)30-20-12-10-19(11-13-20)26-24(29)18-9-14-23(25-17-18)27-15-5-1-2-6-16-27/h9-14,17,21-22,28H,1-8,15-16H2,(H,26,29)/t21-,22+/m0/s1.
What are the key properties of 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 99809452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).