[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone

C24H31N3O2 — CID 45224913

IUPAC[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESO=C(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-22-11-9-21(10-12-22)26-23-13-8-20(17-25-23)24(29)27-15-4-7-19(14-16-27)18-5-2-1-3-6-18/h1-3,5-6,8,13,17,19,21-22,28H,4,7,9-12,14-16H2,(H,25,26)
InChIKeyUBWWEWKAAMZYAH-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.21
Rot. Bonds4

About [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone

[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (PubChem CID 45224913) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
PubChem CID45224913
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESO=C(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-22-11-9-21(10-12-22)26-23-13-8-20(17-25-23)24(29)27-15-4-7-19(14-16-27)18-5-2-1-3-6-18/h1-3,5-6,8,13,17,19,21-22,28H,4,7,9-12,14-16H2,(H,25,26)
InChIKeyUBWWEWKAAMZYAH-UHFFFAOYSA-N
XLogP4.21
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone with MolForge

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Related Compounds

[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
N,N-dimethyl-2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 95206898
[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191

Frequently Asked Questions

What is the IUPAC name of [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The IUPAC name of [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (CID 45224913) is [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is O=C(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The InChIKey is UBWWEWKAAMZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-22-11-9-21(10-12-22)26-23-13-8-20(17-25-23)24(29)27-15-4-7-19(14-16-27)18-5-2-1-3-6-18/h1-3,5-6,8,13,17,19,21-22,28H,4,7,9-12,14-16H2,(H,25,26).
What are the key properties of [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone has a molecular weight of 393.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 45224913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).