4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine

C14H16ClN3O — CID 86610350

IUPAC4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCOCC(C)Nc1cc(-c2ccnc(Cl)c2)ccn1
InChIInChI=1S/C14H16ClN3O/c1-10(9-19-2)18-14-8-12(4-6-17-14)11-3-5-16-13(15)7-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyPNHOXFMXGXVVNG-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine

4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine (PubChem CID 86610350) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
PubChem CID86610350
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCOCC(C)Nc1cc(-c2ccnc(Cl)c2)ccn1
InChIInChI=1S/C14H16ClN3O/c1-10(9-19-2)18-14-8-12(4-6-17-14)11-3-5-16-13(15)7-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyPNHOXFMXGXVVNG-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine 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 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine (CID 86610350) is 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine is COCC(C)Nc1cc(-c2ccnc(Cl)c2)ccn1.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The InChIKey is PNHOXFMXGXVVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(9-19-2)18-14-8-12(4-6-17-14)11-3-5-16-13(15)7-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 86610350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).