6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C17H21N3O4 — CID 138041587

IUPAC6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-10(2)9-13(17(23)18-3)20-16(22)11-6-7-12(19-15(11)21)14-5-4-8-24-14/h4-8,10,13H,9H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyZZCDLQHBMAGBCZ-ZDUSSCGKSA-N
MW331.37 g/mol
LogP1.53
Rot. Bonds6

About 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 138041587) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID138041587
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-10(2)9-13(17(23)18-3)20-16(22)11-6-7-12(19-15(11)21)14-5-4-8-24-14/h4-8,10,13H,9H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyZZCDLQHBMAGBCZ-ZDUSSCGKSA-N
XLogP1.53
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391
6-(furan-2-yl)-N-[(2S,3R)-1-hydroxy-3-phenylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97255840
3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 120535956
6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide
CID 86858643
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119606209
6-(furan-2-yl)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977410
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 138041610
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
6-(furan-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977420

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 138041587) is 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZZCDLQHBMAGBCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10(2)9-13(17(23)18-3)20-16(22)11-6-7-12(19-15(11)21)14-5-4-8-24-14/h4-8,10,13H,9H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138041587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).