4-methyl-N-(pyridin-3-ylmethylideneamino)aniline

C13H13N3 — CID 5175441

IUPAC4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
SMILESCc1ccc(NN=Cc2cccnc2)cc1
InChIInChI=1S/C13H13N3/c1-11-4-6-13(7-5-11)16-15-10-12-3-2-8-14-9-12/h2-10,16H,1H3
InChIKeyLVLMOIZXPFEMPZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline

4-methyl-N-(pyridin-3-ylmethylideneamino)aniline (PubChem CID 5175441) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
PubChem CID5175441
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
SMILESCc1ccc(NN=Cc2cccnc2)cc1
InChIInChI=1S/C13H13N3/c1-11-4-6-13(7-5-11)16-15-10-12-3-2-8-14-9-12/h2-10,16H,1H3
InChIKeyLVLMOIZXPFEMPZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.84
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

N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
N-[(E)-pyridin-3-ylmethylideneamino]pyridazin-3-amine
CID 167776981
3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 6110649
2-[[4-amino-5-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 17048541
6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine
CID 44537083
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 110517932
6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789675
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5338079
4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
CID 3482722

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline (CID 5175441) is 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline is Cc1ccc(NN=Cc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline?
The InChIKey is LVLMOIZXPFEMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-11-4-6-13(7-5-11)16-15-10-12-3-2-8-14-9-12/h2-10,16H,1H3.
What are the key properties of 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline?
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline has a molecular weight of 211.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethylideneamino)aniline is sourced from PubChem (CID 5175441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).