5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide

C19H18N4O — CID 144819073

IUPAC5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide
SMILESC=C(NC)c1ccc(C(=O)Nc2ccc(-c3cc[nH]c3)cc2)nc1
InChIInChI=1S/C19H18N4O/c1-13(20-2)15-5-8-18(22-12-15)19(24)23-17-6-3-14(4-7-17)16-9-10-21-11-16/h3-12,20-21H,1H2,2H3,(H,23,24)
InChIKeyMTFNFAAIUABYDL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.52
Rot. Bonds5

About 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide

5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 144819073) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID144819073
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide
SMILESC=C(NC)c1ccc(C(=O)Nc2ccc(-c3cc[nH]c3)cc2)nc1
InChIInChI=1S/C19H18N4O/c1-13(20-2)15-5-8-18(22-12-15)19(24)23-17-6-3-14(4-7-17)16-9-10-21-11-16/h3-12,20-21H,1H2,2H3,(H,23,24)
InChIKeyMTFNFAAIUABYDL-UHFFFAOYSA-N
XLogP3.52
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide
CID 144819045
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162513592
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide (CID 144819073) is 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide is C=C(NC)c1ccc(C(=O)Nc2ccc(-c3cc[nH]c3)cc2)nc1.
What is the InChIKey of 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is MTFNFAAIUABYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13(20-2)15-5-8-18(22-12-15)19(24)23-17-6-3-14(4-7-17)16-9-10-21-11-16/h3-12,20-21H,1H2,2H3,(H,23,24).
What are the key properties of 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide?
5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 144819073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).