5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide

C22H20N4O2 — CID 135215453

IUPAC5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(/C=C/c3cncc(C(N)=O)c3)c2)cc1N
InChIInChI=1S/C22H20N4O2/c1-14-5-8-17(11-20(14)23)22(28)26-19-4-2-3-15(10-19)6-7-16-9-18(21(24)27)13-25-12-16/h2-13H,23H2,1H3,(H2,24,27)(H,26,28)/b7-6+
InChIKeyJUTHHPGYTHGRQO-VOTSOKGWSA-N
MW372.43 g/mol
LogP3.49
Rot. Bonds5

About 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide

5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide (PubChem CID 135215453) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide
PubChem CID135215453
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(/C=C/c3cncc(C(N)=O)c3)c2)cc1N
InChIInChI=1S/C22H20N4O2/c1-14-5-8-17(11-20(14)23)22(28)26-19-4-2-3-15(10-19)6-7-16-9-18(21(24)27)13-25-12-16/h2-13H,23H2,1H3,(H2,24,27)(H,26,28)/b7-6+
InChIKeyJUTHHPGYTHGRQO-VOTSOKGWSA-N
XLogP3.49
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide (CID 135215453) is 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(/C=C/c3cncc(C(N)=O)c3)c2)cc1N.
What is the InChIKey of 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide?
The InChIKey is JUTHHPGYTHGRQO-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-5-8-17(11-20(14)23)22(28)26-19-4-2-3-15(10-19)6-7-16-9-18(21(24)27)13-25-12-16/h2-13H,23H2,1H3,(H2,24,27)(H,26,28)/b7-6+.
What are the key properties of 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide?
5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135215453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).