N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide

C18H27N3O2 — CID 6940630

IUPACN-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C18H27N3O2/c1-4-18(2,17(23)20-14-10-6-5-7-11-14)21(3)16(22)15-12-8-9-13-19-15/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyLMHNSFMFDMIEQR-GOSISDBHSA-N
MW317.43 g/mol
LogP2.77
Rot. Bonds5

About N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide

N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 6940630) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID6940630
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C18H27N3O2/c1-4-18(2,17(23)20-14-10-6-5-7-11-14)21(3)16(22)15-12-8-9-13-19-15/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyLMHNSFMFDMIEQR-GOSISDBHSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
CID 7287866
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-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
CID 7012221
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
(2S)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl-methylamino]-2-methylbutanamide
CID 41186710
2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-pyridin-2-ylethyl)propanamide
CID 78324506
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
(2S)-N-cyclopentyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl-methylamino]-2-methylbutanamide
CID 41140753
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide (CID 6940630) is N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide is CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1.
What is the InChIKey of N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is LMHNSFMFDMIEQR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-18(2,17(23)20-14-10-6-5-7-11-14)21(3)16(22)15-12-8-9-13-19-15/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 6940630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).