3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline

C13H14ClN5 — CID 121326939

IUPAC3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(N(C)N)nc1
InChIInChI=1S/C13H14ClN5/c1-19(17)13-3-2-8(7-18-13)10-4-9(14)5-12(16)11(10)6-15/h2-7,15H,16-17H2,1H3/b15-6+
InChIKeyKICMDPIYTBSZOI-GIDUJCDVSA-N
MW275.74 g/mol
LogP2.29
Rot. Bonds3

About 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline

3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline (PubChem CID 121326939) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline.

Molecular Properties

Compound Name3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline
PubChem CID121326939
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(N(C)N)nc1
InChIInChI=1S/C13H14ClN5/c1-19(17)13-3-2-8(7-18-13)10-4-9(14)5-12(16)11(10)6-15/h2-7,15H,16-17H2,1H3/b15-6+
InChIKeyKICMDPIYTBSZOI-GIDUJCDVSA-N
XLogP2.29
TPSA92.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline?
The IUPAC name of 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline (CID 121326939) is 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline.
What is the SMILES notation for 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline?
The canonical SMILES for 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline is [H]/N=C/c1c(N)cc(Cl)cc1-c1ccc(N(C)N)nc1.
What is the InChIKey of 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline?
The InChIKey is KICMDPIYTBSZOI-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-19(17)13-3-2-8(7-18-13)10-4-9(14)5-12(16)11(10)6-15/h2-7,15H,16-17H2,1H3/b15-6+.
What are the key properties of 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline?
3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline has a molecular weight of 275.74 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[amino(methyl)amino]-3-pyridinyl]-5-chloro-2-methanimidoylaniline is sourced from PubChem (CID 121326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).