N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide

C16H14N2O3 — CID 1486135

IUPACN-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H14N2O3/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-12-6-8-13(21-2)9-7-12/h1,4-9,11H,10H2,2H3,(H,17,19)
InChIKeyBTNSFPFBEWFEHP-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.74
Rot. Bonds4

About N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide

N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide (PubChem CID 1486135) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide
PubChem CID1486135
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H14N2O3/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-12-6-8-13(21-2)9-7-12/h1,4-9,11H,10H2,2H3,(H,17,19)
InChIKeyBTNSFPFBEWFEHP-UHFFFAOYSA-N
XLogP1.74
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 3774896
N-(3,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
CID 1483572
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
N-(4-methoxyphenyl)-1-[(2-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382807
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599387
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide (CID 1486135) is N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide is C#CCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is BTNSFPFBEWFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-12-6-8-13(21-2)9-7-12/h1,4-9,11H,10H2,2H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 1486135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).