3-[(4-methylphenyl)methylideneamino]pyridin-2-amine

C13H13N3 — CID 901807

IUPAC3-[(4-methylphenyl)methylideneamino]pyridin-2-amine
SMILESCc1ccc(/C=N/c2cccnc2N)cc1
InChIInChI=1S/C13H13N3/c1-10-4-6-11(7-5-10)9-16-12-3-2-8-15-13(12)14/h2-9H,1H3,(H2,14,15)/b16-9+
InChIKeyHMJBDTRTYHHRMW-CXUHLZMHSA-N
MW211.27 g/mol
LogP2.72
Rot. Bonds2

About 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine

3-[(4-methylphenyl)methylideneamino]pyridin-2-amine (PubChem CID 901807) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylideneamino]pyridin-2-amine
PubChem CID901807
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3-[(4-methylphenyl)methylideneamino]pyridin-2-amine
SMILESCc1ccc(/C=N/c2cccnc2N)cc1
InChIInChI=1S/C13H13N3/c1-10-4-6-11(7-5-10)9-16-12-3-2-8-15-13(12)14/h2-9H,1H3,(H2,14,15)/b16-9+
InChIKeyHMJBDTRTYHHRMW-CXUHLZMHSA-N
XLogP2.72
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine (CID 901807) is 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine is Cc1ccc(/C=N/c2cccnc2N)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is HMJBDTRTYHHRMW-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H13N3/c1-10-4-6-11(7-5-10)9-16-12-3-2-8-15-13(12)14/h2-9H,1H3,(H2,14,15)/b16-9+.
What are the key properties of 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine?
3-[(4-methylphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 211.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 901807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).