N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C22H20ClN5 — CID 11610793

About N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11610793) has the molecular formula C22H20ClN5 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 11610793
• Molecular Formula: C22H20ClN5
• Molecular Weight: 389.89 g/mol
• Exact Mass: 389.14
• IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
• SMILES: Cc1nc(NCCc2ccccc2Cl)c2ccc(-c3ncccc3C)nc2n1
• InChI: InChI=1S/C22H20ClN5/c1-14-6-5-12-24-20(14)19-10-9-17-21(26-15(2)27-22(17)28-19)25-13-11-16-7-3-4-8-18(16)23/h3-10,12H,11,13H2,1-2H3,(H,25,26,27,28)
• InChIKey: XXMBDPPZDFXKKE-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.89
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11610793) is N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCCc2ccccc2Cl)c2ccc(-c3ncccc3C)nc2n1.

What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is XXMBDPPZDFXKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5/c1-14-6-5-12-24-20(14)19-10-9-17-21(26-15(2)27-22(17)28-19)25-13-11-16-7-3-4-8-18(16)23/h3-10,12H,11,13H2,1-2H3,(H,25,26,27,28).

What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 389.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11610793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).