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

C22H33N3O3 — CID 7099177

IUPACN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1
InChIInChI=1S/C22H33N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,24,27)/t18-,22-/m0/s1
InChIKeyFRGQLPMXKLSPJY-AVRDEDQJSA-N
MW387.52 g/mol
LogP3.32
Rot. Bonds7

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

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 7099177) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
PubChem CID7099177
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1
InChIInChI=1S/C22H33N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,24,27)/t18-,22-/m0/s1
InChIKeyFRGQLPMXKLSPJY-AVRDEDQJSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 7103582
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
CID 7287866
N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 7012216
(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124716854
(2S)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-methylbutanamide
CID 41186736
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 3216656
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 3933880
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440
N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
CID 4887568

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide (CID 7099177) is N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide is CC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is FRGQLPMXKLSPJY-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,24,27)/t18-,22-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide?
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 7099177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).