methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate

C16H17N3O4 — CID 87006402

IUPACmethyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)CCn2ccccc2=O)cc1
InChIInChI=1S/C16H17N3O4/c1-23-16(22)18-13-7-5-12(6-8-13)17-14(20)9-11-19-10-3-2-4-15(19)21/h2-8,10H,9,11H2,1H3,(H,17,20)(H,18,22)
InChIKeyOEJMHPKMOWQPDY-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.06
Rot. Bonds5

About methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate

methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate (PubChem CID 87006402) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
PubChem CID87006402
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)CCn2ccccc2=O)cc1
InChIInChI=1S/C16H17N3O4/c1-23-16(22)18-13-7-5-12(6-8-13)17-14(20)9-11-19-10-3-2-4-15(19)21/h2-8,10H,9,11H2,1H3,(H,17,20)(H,18,22)
InChIKeyOEJMHPKMOWQPDY-UHFFFAOYSA-N
XLogP2.06
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide
CID 78862361
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979400
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-[2-(ethoxymethyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86821879
3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 86857686
5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474600
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
N-[4-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 87001216

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate (CID 87006402) is methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)CCn2ccccc2=O)cc1.
What is the InChIKey of methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate?
The InChIKey is OEJMHPKMOWQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-23-16(22)18-13-7-5-12(6-8-13)17-14(20)9-11-19-10-3-2-4-15(19)21/h2-8,10H,9,11H2,1H3,(H,17,20)(H,18,22).
What are the key properties of methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate?
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate has a molecular weight of 315.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 87006402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).