2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine

C18H12ClN5 — CID 11989322

IUPAC2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(-c2nc(Nc3ccncc3)c3cccnc3n2)c1
InChIInChI=1S/C18H12ClN5/c19-13-4-1-3-12(11-13)16-23-17-15(5-2-8-21-17)18(24-16)22-14-6-9-20-10-7-14/h1-11H,(H,20,21,22,23,24)
InChIKeyTVAVRZKBIMRQPV-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.48
Rot. Bonds3

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

2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11989322) has the molecular formula C18H12ClN5 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11989322
Molecular FormulaC18H12ClN5
Molecular Weight333.78 g/mol
Exact Mass333.08
IUPAC Name2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(-c2nc(Nc3ccncc3)c3cccnc3n2)c1
InChIInChI=1S/C18H12ClN5/c19-13-4-1-3-12(11-13)16-23-17-15(5-2-8-21-17)18(24-16)22-14-6-9-20-10-7-14/h1-11H,(H,20,21,22,23,24)
InChIKeyTVAVRZKBIMRQPV-UHFFFAOYSA-N
XLogP4.48
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine (CID 11989322) is 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine is Clc1cccc(-c2nc(Nc3ccncc3)c3cccnc3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is TVAVRZKBIMRQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5/c19-13-4-1-3-12(11-13)16-23-17-15(5-2-8-21-17)18(24-16)22-14-6-9-20-10-7-14/h1-11H,(H,20,21,22,23,24).
What are the key properties of 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine?
2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 333.78 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11989322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).