3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide

C14H12ClN3O — CID 1072497

IUPAC3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
SMILESCc1ccc(C(=O)NN=Cc2cccnc2)cc1Cl
InChIInChI=1S/C14H12ClN3O/c1-10-4-5-12(7-13(10)15)14(19)18-17-9-11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)
InChIKeyLBZFKHNVOVILEB-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.81
Rot. Bonds3

About 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide

3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide (PubChem CID 1072497) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
PubChem CID1072497
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
SMILESCc1ccc(C(=O)NN=Cc2cccnc2)cc1Cl
InChIInChI=1S/C14H12ClN3O/c1-10-4-5-12(7-13(10)15)14(19)18-17-9-11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)
InChIKeyLBZFKHNVOVILEB-UHFFFAOYSA-N
XLogP2.81
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5416780
2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-pyridin-3-ylmethylideneamino]carbamoyl]benzoic acid
CID 90154946
4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3478263
3-bromo-4-methoxy-N-(pyridin-3-ylmethylideneamino)benzamide
CID 681048
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 724393
3-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137034772
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875109
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide (CID 1072497) is 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide is Cc1ccc(C(=O)NN=Cc2cccnc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide?
The InChIKey is LBZFKHNVOVILEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10-4-5-12(7-13(10)15)14(19)18-17-9-11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19).
What are the key properties of 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide?
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide has a molecular weight of 273.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 1072497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).