1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone

C15H14N2O — CID 160987415

IUPAC1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
SMILESCc1ccc(C(=O)C/N=C/c2cccnc2)cc1
InChIInChI=1S/C15H14N2O/c1-12-4-6-14(7-5-12)15(18)11-17-10-13-3-2-8-16-9-13/h2-10H,11H2,1H3/b17-10+
InChIKeyARDJQHKKSSHLIL-LICLKQGHSA-N
MW238.29 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone

1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone (PubChem CID 160987415) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
PubChem CID160987415
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
SMILESCc1ccc(C(=O)C/N=C/c2cccnc2)cc1
InChIInChI=1S/C15H14N2O/c1-12-4-6-14(7-5-12)15(18)11-17-10-13-3-2-8-16-9-13/h2-10H,11H2,1H3/b17-10+
InChIKeyARDJQHKKSSHLIL-LICLKQGHSA-N
XLogP2.69
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-3-ylmethylideneamino)acetic acid
CID 45082526
N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
CID 142604700
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
CID 69234303
1-(4-methylphenyl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 94270981
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
CID 1048779

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone (CID 160987415) is 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone is Cc1ccc(C(=O)C/N=C/c2cccnc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone?
The InChIKey is ARDJQHKKSSHLIL-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12-4-6-14(7-5-12)15(18)11-17-10-13-3-2-8-16-9-13/h2-10H,11H2,1H3/b17-10+.
What are the key properties of 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone?
1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone has a molecular weight of 238.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone is sourced from PubChem (CID 160987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).