4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide

C22H20N4O2 — CID 126457990

IUPAC4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(C)n3)cc2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-6-8-17(9-7-15)21(27)25-19-12-10-18(11-13-19)22(28)26-23-14-20-5-3-4-16(2)24-20/h3-14H,1-2H3,(H,25,27)(H,26,28)/b23-14+
InChIKeyNIGGWLJGGUIONP-OEAKJJBVSA-N
MW372.43 g/mol
LogP3.71
Rot. Bonds5

About 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide

4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 126457990) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID126457990
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(C)n3)cc2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-6-8-17(9-7-15)21(27)25-19-12-10-18(11-13-19)22(28)26-23-14-20-5-3-4-16(2)24-20/h3-14H,1-2H3,(H,25,27)(H,26,28)/b23-14+
InChIKeyNIGGWLJGGUIONP-OEAKJJBVSA-N
XLogP3.71
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 ≤ 53.71
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-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 86809541
2-chloro-N-[3-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496252
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427
copper;bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate)
CID 50919597
bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate);zinc
CID 50918126
3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46496179
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide (CID 126457990) is 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(C)n3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is NIGGWLJGGUIONP-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-6-8-17(9-7-15)21(27)25-19-12-10-18(11-13-19)22(28)26-23-14-20-5-3-4-16(2)24-20/h3-14H,1-2H3,(H,25,27)(H,26,28)/b23-14+.
What are the key properties of 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide?
4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126457990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).