N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide

C18H27N3O2 — CID 110894690

IUPACN-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCCCCC1c1ccncc1
InChIInChI=1S/C18H27N3O2/c22-16-7-5-15(6-8-16)20-18(23)21-13-3-1-2-4-17(21)14-9-11-19-12-10-14/h9-12,15-17,22H,1-8,13H2,(H,20,23)
InChIKeyXXSPGXRMIYPZQB-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.01
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide

N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 110894690) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID110894690
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCCCCC1c1ccncc1
InChIInChI=1S/C18H27N3O2/c22-16-7-5-15(6-8-16)20-18(23)21-13-3-1-2-4-17(21)14-9-11-19-12-10-14/h9-12,15-17,22H,1-8,13H2,(H,20,23)
InChIKeyXXSPGXRMIYPZQB-UHFFFAOYSA-N
XLogP3.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 110900682
2-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 110900683
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 126791611
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 99794040
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 91903863
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078379
[(2S)-1,1-dioxothian-2-yl]-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 97352110

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide (CID 110894690) is N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCCCCC1c1ccncc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is XXSPGXRMIYPZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-16-7-5-15(6-8-16)20-18(23)21-13-3-1-2-4-17(21)14-9-11-19-12-10-14/h9-12,15-17,22H,1-8,13H2,(H,20,23).
What are the key properties of N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide?
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 110894690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).