3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine

C13H14N4 — CID 86746349

IUPAC3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine
SMILESCC(=NNc1ccccc1)c1cnccc1N
InChIInChI=1S/C13H14N4/c1-10(12-9-15-8-7-13(12)14)16-17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,14,15)
InChIKeyURMROAJOVOUBCN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.50
Rot. Bonds3

About 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine

3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine (PubChem CID 86746349) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine
PubChem CID86746349
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine
SMILESCC(=NNc1ccccc1)c1cnccc1N
InChIInChI=1S/C13H14N4/c1-10(12-9-15-8-7-13(12)14)16-17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,14,15)
InChIKeyURMROAJOVOUBCN-UHFFFAOYSA-N
XLogP2.50
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine?
The IUPAC name of 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine (CID 86746349) is 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine.
What is the SMILES notation for 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine?
The canonical SMILES for 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine is CC(=NNc1ccccc1)c1cnccc1N.
What is the InChIKey of 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine?
The InChIKey is URMROAJOVOUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-10(12-9-15-8-7-13(12)14)16-17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,14,15).
What are the key properties of 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine?
3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine has a molecular weight of 226.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine is sourced from PubChem (CID 86746349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).