N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide

C22H20N4O2 — CID 66637366

IUPACN-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccncc2)cc1C
InChIInChI=1S/C22H20N4O2/c1-15-7-8-17(13-16(15)2)14-24-26-22(28)19-5-3-4-6-20(19)25-21(27)18-9-11-23-12-10-18/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyUSZQCZKOYUXSON-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.71
Rot. Bonds5

About N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide

N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 66637366) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID66637366
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccncc2)cc1C
InChIInChI=1S/C22H20N4O2/c1-15-7-8-17(13-16(15)2)14-24-26-22(28)19-5-3-4-6-20(19)25-21(27)18-9-11-23-12-10-18/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyUSZQCZKOYUXSON-UHFFFAOYSA-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)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
N-[4-bromo-2-[[(3-methylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66638175
N-[4-bromo-2-[[(E)-(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 58712842
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107653

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide (CID 66637366) is N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide is Cc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccncc2)cc1C.
What is the InChIKey of N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is USZQCZKOYUXSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-7-8-17(13-16(15)2)14-24-26-22(28)19-5-3-4-6-20(19)25-21(27)18-9-11-23-12-10-18/h3-14H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide?
N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide 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 N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 66637366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).