4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide

C19H18N4O — CID 3478263

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cccnc2)cc1
InChIInChI=1S/C19H18N4O/c1-14-5-6-15(2)23(14)18-9-7-17(8-10-18)19(24)22-21-13-16-4-3-11-20-12-16/h3-13H,1-2H3,(H,22,24)
InChIKeyDISYGXOAWKSWLL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.25
Rot. Bonds4

About 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide (PubChem CID 3478263) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
PubChem CID3478263
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cccnc2)cc1
InChIInChI=1S/C19H18N4O/c1-14-5-6-15(2)23(14)18-9-7-17(8-10-18)19(24)22-21-13-16-4-3-11-20-12-16/h3-13H,1-2H3,(H,22,24)
InChIKeyDISYGXOAWKSWLL-UHFFFAOYSA-N
XLogP3.25
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875109
2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-pyridin-3-ylmethylideneamino]carbamoyl]benzoic acid
CID 90154946
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 6030530
[4-[(Z)-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 29225530
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 50855840
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 724393
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
3-bromo-4-methoxy-N-(pyridin-3-ylmethylideneamino)benzamide
CID 681048

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide (CID 3478263) is 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide is Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cccnc2)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide?
The InChIKey is DISYGXOAWKSWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-5-6-15(2)23(14)18-9-7-17(8-10-18)19(24)22-21-13-16-4-3-11-20-12-16/h3-13H,1-2H3,(H,22,24).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 3478263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).