N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

C22H33N3O4 — CID 7107433

IUPACN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H33N3O4/c1-3-22(2,21(28)24-17-8-5-4-6-9-17)25(15-18-10-7-13-29-18)20(27)16-11-12-19(26)23-14-16/h11-12,14,17-18H,3-10,13,15H2,1-2H3,(H,23,26)(H,24,28)/t18-,22+/m1/s1
InChIKeyWEIRFGIBVMAZJM-GCJKJVERSA-N
MW403.52 g/mol
LogP2.61
Rot. Bonds7

About N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 7107433) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID7107433
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H33N3O4/c1-3-22(2,21(28)24-17-8-5-4-6-9-17)25(15-18-10-7-13-29-18)20(27)16-11-12-19(26)23-14-16/h11-12,14,17-18H,3-10,13,15H2,1-2H3,(H,23,26)(H,24,28)/t18-,22+/m1/s1
InChIKeyWEIRFGIBVMAZJM-GCJKJVERSA-N
XLogP2.61
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177
(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124716854
N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 7103582
6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 94185139
(2S)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-methylbutanamide
CID 41186736
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
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
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 114996677
(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
CID 7012221
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4313519

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 7107433) is N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is CC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is WEIRFGIBVMAZJM-GCJKJVERSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-3-22(2,21(28)24-17-8-5-4-6-9-17)25(15-18-10-7-13-29-18)20(27)16-11-12-19(26)23-14-16/h11-12,14,17-18H,3-10,13,15H2,1-2H3,(H,23,26)(H,24,28)/t18-,22+/m1/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 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]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 7107433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).