N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C13H19N3O4 — CID 74241788

IUPACN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)C(N)=O
InChIInChI=1S/C13H19N3O4/c1-4-7(2)11(12(14)18)16-13(19)8-5-9(17)10(20-3)6-15-8/h5-7,11H,4H2,1-3H3,(H2,14,18)(H,15,17)(H,16,19)/t7-,11-/m0/s1
InChIKeyPYTRJLQZQVLFTE-CPCISQLKSA-N
MW281.31 g/mol
LogP0.01
Rot. Bonds6

About N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 74241788) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID74241788
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)C(N)=O
InChIInChI=1S/C13H19N3O4/c1-4-7(2)11(12(14)18)16-13(19)8-5-9(17)10(20-3)6-15-8/h5-7,11H,4H2,1-3H3,(H2,14,18)(H,15,17)(H,16,19)/t7-,11-/m0/s1
InChIKeyPYTRJLQZQVLFTE-CPCISQLKSA-N
XLogP0.01
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide with MolForge

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27448407
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 91796184
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
3-(3,4-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124853927

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 74241788) is N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is CC[C@H](C)[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)C(N)=O.
What is the InChIKey of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PYTRJLQZQVLFTE-CPCISQLKSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-7(2)11(12(14)18)16-13(19)8-5-9(17)10(20-3)6-15-8/h5-7,11H,4H2,1-3H3,(H2,14,18)(H,15,17)(H,16,19)/t7-,11-/m0/s1.
What are the key properties of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 74241788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).