2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid

C14H19N3O4 — CID 119253750

IUPAC2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(C(N)=O)cn1)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8(2)5-10(14(20)21)7-17-13(19)11-4-3-9(6-16-11)12(15)18/h3-4,6,8,10H,5,7H2,1-2H3,(H2,15,18)(H,17,19)(H,20,21)
InChIKeyDWBYDLONTREWTG-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.66
Rot. Bonds7

About 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid

2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 119253750) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID119253750
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(C(N)=O)cn1)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8(2)5-10(14(20)21)7-17-13(19)11-4-3-9(6-16-11)12(15)18/h3-4,6,8,10H,5,7H2,1-2H3,(H2,15,18)(H,17,19)(H,20,21)
InChIKeyDWBYDLONTREWTG-UHFFFAOYSA-N
XLogP0.66
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid 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

(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 122108015
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide
CID 119138064
2-N-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
2-[[[1-(2-chlorophenyl)triazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253058
2-[[(5-carbamoyl-2-fluorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 122126472
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 119253750) is 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)c1ccc(C(N)=O)cn1)C(=O)O.
What is the InChIKey of 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is DWBYDLONTREWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(2)5-10(14(20)21)7-17-13(19)11-4-3-9(6-16-11)12(15)18/h3-4,6,8,10H,5,7H2,1-2H3,(H2,15,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).