N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide

C17H25N3O3 — CID 138026883

IUPACN-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(=O)cc[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-11(2)15(17(23)19-12-6-4-3-5-7-12)20-16(22)14-10-13(21)8-9-18-14/h8-12,15H,3-7H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyXRASHBOMMXCVFQ-HNNXBMFYSA-N
MW319.41 g/mol
LogP1.58
Rot. Bonds5

About N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide

N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 138026883) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID138026883
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(=O)cc[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-11(2)15(17(23)19-12-6-4-3-5-7-12)20-16(22)14-10-13(21)8-9-18-14/h8-12,15H,3-7H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyXRASHBOMMXCVFQ-HNNXBMFYSA-N
XLogP1.58
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide (CID 138026883) is N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide is CC(C)[C@H](NC(=O)c1cc(=O)cc[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is XRASHBOMMXCVFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)15(17(23)19-12-6-4-3-5-7-12)20-16(22)14-10-13(21)8-9-18-14/h8-12,15H,3-7H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide?
N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138026883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).