2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine

C19H14ClN5 — CID 142902246

IUPAC2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Cl)cc(-c2nc(Nc3ccncc3)c3cccnc3n2)c1
InChIInChI=1S/C19H14ClN5/c1-12-9-13(11-14(20)10-12)17-24-18-16(3-2-6-22-18)19(25-17)23-15-4-7-21-8-5-15/h2-11H,1H3,(H,21,22,23,24,25)
InChIKeyDNNMPNZVNHKVLO-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.79
Rot. Bonds3

About 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine

2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 142902246) has the molecular formula C19H14ClN5 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID142902246
Molecular FormulaC19H14ClN5
Molecular Weight347.81 g/mol
Exact Mass347.09
IUPAC Name2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Cl)cc(-c2nc(Nc3ccncc3)c3cccnc3n2)c1
InChIInChI=1S/C19H14ClN5/c1-12-9-13(11-14(20)10-12)17-24-18-16(3-2-6-22-18)19(25-17)23-15-4-7-21-8-5-15/h2-11H,1H3,(H,21,22,23,24,25)
InChIKeyDNNMPNZVNHKVLO-UHFFFAOYSA-N
XLogP4.79
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-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 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine (CID 142902246) is 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1cc(Cl)cc(-c2nc(Nc3ccncc3)c3cccnc3n2)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DNNMPNZVNHKVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5/c1-12-9-13(11-14(20)10-12)17-24-18-16(3-2-6-22-18)19(25-17)23-15-4-7-21-8-5-15/h2-11H,1H3,(H,21,22,23,24,25).
What are the key properties of 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 347.81 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142902246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).