methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate

C17H18N2O4 — CID 142717826

IUPACmethyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate
SMILESCOC(=O)CC(C)NC(=O)c1ccc(-c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-11(9-16(21)23-2)19-17(22)13-5-3-12(4-6-13)14-7-8-18-15(20)10-14/h3-8,10-11H,9H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyWCCLBGIZCPKYSX-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.72
Rot. Bonds5

About methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate

methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate (PubChem CID 142717826) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate
PubChem CID142717826
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate
SMILESCOC(=O)CC(C)NC(=O)c1ccc(-c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-11(9-16(21)23-2)19-17(22)13-5-3-12(4-6-13)14-7-8-18-15(20)10-14/h3-8,10-11H,9H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyWCCLBGIZCPKYSX-UHFFFAOYSA-N
XLogP1.72
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate with MolForge

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Related Compounds

methyl (3R)-3-[(4-bromobenzoyl)amino]butanoate
CID 25139378
methyl 3-benzamidobutanoate
CID 10857046
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
methyl 3-[[4-(aminomethyl)benzoyl]amino]butanoate;hydrochloride
CID 119274296
methyl (2S)-2-amino-3-[4-(2-oxo-1H-pyridin-4-yl)phenyl]propanoate
CID 66719230
N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764863
methyl 2-amino-3-[4-(2-oxo-1H-pyridin-4-yl)phenyl]propanoate;dihydrochloride
CID 174643008
methyl 3-[(3-aminobenzoyl)amino]butanoate;hydrochloride
CID 119695196
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate?
The IUPAC name of methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate (CID 142717826) is methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate.
What is the SMILES notation for methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate?
The canonical SMILES for methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate is COC(=O)CC(C)NC(=O)c1ccc(-c2cc[nH]c(=O)c2)cc1.
What is the InChIKey of methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate?
The InChIKey is WCCLBGIZCPKYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(9-16(21)23-2)19-17(22)13-5-3-12(4-6-13)14-7-8-18-15(20)10-14/h3-8,10-11H,9H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate?
methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate has a molecular weight of 314.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate is sourced from PubChem (CID 142717826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).