N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide

C22H35N3O2 — CID 163155340

IUPACN-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
SMILESCCCCC(=O)N(CCCC)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C22H35N3O2/c1-3-5-14-20(26)25(16-6-4-2)21(18-11-10-15-23-17-18)22(27)24-19-12-8-7-9-13-19/h10-11,15,17,19,21H,3-9,12-14,16H2,1-2H3,(H,24,27)
InChIKeyOWZKBRQMADCATN-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.39
Rot. Bonds10

About N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide

N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide (PubChem CID 163155340) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide.

Molecular Properties

Compound NameN-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
PubChem CID163155340
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
SMILESCCCCC(=O)N(CCCC)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C22H35N3O2/c1-3-5-14-20(26)25(16-6-4-2)21(18-11-10-15-23-17-18)22(27)24-19-12-8-7-9-13-19/h10-11,15,17,19,21H,3-9,12-14,16H2,1-2H3,(H,24,27)
InChIKeyOWZKBRQMADCATN-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162533663
N'-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 40624527
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
N'-butyl-N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 3210748
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4642657
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 3211852
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91593351
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791217
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3196481

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide?
The IUPAC name of N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide (CID 163155340) is N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide.
What is the SMILES notation for N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide?
The canonical SMILES for N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide is CCCCC(=O)N(CCCC)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide?
The InChIKey is OWZKBRQMADCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-3-5-14-20(26)25(16-6-4-2)21(18-11-10-15-23-17-18)22(27)24-19-12-8-7-9-13-19/h10-11,15,17,19,21H,3-9,12-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide?
N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide has a molecular weight of 373.54 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide is sourced from PubChem (CID 163155340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).