2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile

C9H11ClN4 — CID 576178

IUPAC2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile
SMILESCCN(N)c1nc(Cl)cc(C)c1C#N
InChIInChI=1S/C9H11ClN4/c1-3-14(12)9-7(5-11)6(2)4-8(10)13-9/h4H,3,12H2,1-2H3
InChIKeyKTSAGNVMZUORKH-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.62
Rot. Bonds2

About 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile

2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile (PubChem CID 576178) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile
PubChem CID576178
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile
SMILESCCN(N)c1nc(Cl)cc(C)c1C#N
InChIInChI=1S/C9H11ClN4/c1-3-14(12)9-7(5-11)6(2)4-8(10)13-9/h4H,3,12H2,1-2H3
InChIKeyKTSAGNVMZUORKH-UHFFFAOYSA-N
XLogP1.62
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile (CID 576178) is 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile is CCN(N)c1nc(Cl)cc(C)c1C#N.
What is the InChIKey of 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile?
The InChIKey is KTSAGNVMZUORKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-3-14(12)9-7(5-11)6(2)4-8(10)13-9/h4H,3,12H2,1-2H3.
What are the key properties of 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile?
2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile has a molecular weight of 210.67 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethyl)amino]-6-chloro-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 576178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).