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

C14H13N3O — CID 14987546

IUPACN-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccccc2)n1
InChIInChI=1S/C14H13N3O/c1-11-6-5-9-13(16-11)10-15-17-14(18)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)/b15-10+
InChIKeyKIWZLWXSGPPAER-XNTDXEJSSA-N
MW239.28 g/mol
LogP2.15
Rot. Bonds3

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

N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide (PubChem CID 14987546) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
PubChem CID14987546
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccccc2)n1
InChIInChI=1S/C14H13N3O/c1-11-6-5-9-13(16-11)10-15-17-14(18)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)/b15-10+
InChIKeyKIWZLWXSGPPAER-XNTDXEJSSA-N
XLogP2.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.15
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

4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 126457990
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,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70119777
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate);zinc
CID 50918126
copper;bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate)
CID 50919597

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide (CID 14987546) is N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide is Cc1cccc(/C=N/NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
The InChIKey is KIWZLWXSGPPAER-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11-6-5-9-13(16-11)10-15-17-14(18)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)/b15-10+.
What are the key properties of N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide has a molecular weight of 239.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide is sourced from PubChem (CID 14987546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).