N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide

C22H20N4O2 — CID 17349528

IUPACN-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccccn1)c1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C22H20N4O2/c1-15-7-5-9-18(13-15)21(27)24-19-10-6-8-17(14-19)16(2)25-26-22(28)20-11-3-4-12-23-20/h3-14H,1-2H3,(H,24,27)(H,26,28)/b25-16+
InChIKeyOOYOJYJHDYFPCM-PCLIKHOPSA-N
MW372.43 g/mol
LogP3.80
Rot. Bonds5

About N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide

N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide (PubChem CID 17349528) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
PubChem CID17349528
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccccn1)c1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C22H20N4O2/c1-15-7-5-9-18(13-15)21(27)24-19-10-6-8-17(14-19)16(2)25-26-22(28)20-11-3-4-12-23-20/h3-14H,1-2H3,(H,24,27)(H,26,28)/b25-16+
InChIKeyOOYOJYJHDYFPCM-PCLIKHOPSA-N
XLogP3.80
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 4622644
2-hydroxy-N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 25237435
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide (CID 17349528) is N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide is C/C(=N\NC(=O)c1ccccn1)c1cccc(NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide?
The InChIKey is OOYOJYJHDYFPCM-PCLIKHOPSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-7-5-9-18(13-15)21(27)24-19-10-6-8-17(14-19)16(2)25-26-22(28)20-11-3-4-12-23-20/h3-14H,1-2H3,(H,24,27)(H,26,28)/b25-16+.
What are the key properties of N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide?
N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 17349528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).