N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide

C23H29N3O2 — CID 7287866

IUPACN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-3-23(2,22(28)25-18-12-6-4-7-13-18)26(19-14-8-5-9-15-19)21(27)20-16-10-11-17-24-20/h5,8-11,14-18H,3-4,6-7,12-13H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyLKWGQLXEBZDIQR-QHCPKHFHSA-N
MW379.50 g/mol
LogP4.35
Rot. Bonds6

About N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide (PubChem CID 7287866) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
PubChem CID7287866
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-3-23(2,22(28)25-18-12-6-4-7-13-18)26(19-14-8-5-9-15-19)21(27)20-16-10-11-17-24-20/h5,8-11,14-18H,3-4,6-7,12-13H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyLKWGQLXEBZDIQR-QHCPKHFHSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177
N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 7012216
(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide
CID 7107392
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3206049
N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3205958
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide
CID 166334145
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide (CID 7287866) is N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide is CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide?
The InChIKey is LKWGQLXEBZDIQR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-23(2,22(28)25-18-12-6-4-7-13-18)26(19-14-8-5-9-15-19)21(27)20-16-10-11-17-24-20/h5,8-11,14-18H,3-4,6-7,12-13H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide?
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 7287866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).