5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide

C20H17N3O — CID 144819045

IUPAC5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide
SMILESC=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(C(N)=O)nc1
InChIInChI=1S/C20H17N3O/c1-14(17-9-12-19(20(21)24)22-13-17)23-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,23H,1H2,(H2,21,24)
InChIKeyQLRUDUONVOZAFA-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.93
Rot. Bonds5

About 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide

5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide (PubChem CID 144819045) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide
PubChem CID144819045
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide
SMILESC=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(C(N)=O)nc1
InChIInChI=1S/C20H17N3O/c1-14(17-9-12-19(20(21)24)22-13-17)23-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,23H,1H2,(H2,21,24)
InChIKeyQLRUDUONVOZAFA-UHFFFAOYSA-N
XLogP3.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone
CID 143690606
5-N-(4-bromophenyl)pyridine-2,5-dicarboxamide
CID 47460208
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide
CID 144819073
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
5-N-(3,4-dichlorophenyl)pyridine-2,5-dicarboxamide
CID 47460215
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
5-N-(1H-pyrazol-4-yl)pyridine-2,5-dicarboxamide
CID 86858757
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide (CID 144819045) is 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide is C=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide?
The InChIKey is QLRUDUONVOZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14(17-9-12-19(20(21)24)22-13-17)23-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,23H,1H2,(H2,21,24).
What are the key properties of 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide?
5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide is sourced from PubChem (CID 144819045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).