N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C17H18N2O4 — CID 1483584

IUPACN-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C17H18N2O4/c1-4-9-19-10-5-6-13(17(19)21)16(20)18-12-7-8-14(22-2)15(11-12)23-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)
InChIKeyLQXXJEPIQRKZOR-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.30
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1483584) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1483584
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C17H18N2O4/c1-4-9-19-10-5-6-13(17(19)21)16(20)18-12-7-8-14(22-2)15(11-12)23-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)
InChIKeyLQXXJEPIQRKZOR-UHFFFAOYSA-N
XLogP2.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
CID 3788216
N-(3,4-Dimethoxyphenyl)acetamide
CID 244160
2-methyl-N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenamide
CID 940003
N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 971960
N-(4-methoxyphenyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 1486129
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 1534538
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 2449806
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787569
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 4883942
N-(tert-Butylcarbamoyl-methyl)-N-cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 24792459
1-allyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483582

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1483584) is N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1=O.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is LQXXJEPIQRKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-9-19-10-5-6-13(17(19)21)16(20)18-12-7-8-14(22-2)15(11-12)23-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1483584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).