4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine

C30H35N7 — CID 155249922

About 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine

4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine (PubChem CID 155249922) has the molecular formula C30H35N7 and a molecular weight of 493.66 g/mol. Its IUPAC name is 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine
• PubChem CID: 155249922
• Molecular Formula: C30H35N7
• Molecular Weight: 493.66 g/mol
• Exact Mass: 493.30
• IUPAC Name: 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine
• SMILES: Cc1ccc(Nc2cc(-c3nc(C(N)C4CCNCC4(C)C)c4c(C5CC5)cncc4n3)ccn2)cc1
• InChI: InChI=1S/C30H35N7/c1-18-4-8-21(9-5-18)35-25-14-20(10-13-34-25)29-36-24-16-33-15-22(19-6-7-19)26(24)28(37-29)27(31)23-11-12-32-17-30(23,2)3/h4-5,8-10,13-16,19,23,27,32H,6-7,11-12,17,31H2,1-3H3,(H,34,35)
• InChIKey: BKABHRXSLKZNGN-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 101.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.66
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine?

The IUPAC name of 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine (CID 155249922) is 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine.

What is the SMILES notation for 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine?

The canonical SMILES for 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine is Cc1ccc(Nc2cc(-c3nc(C(N)C4CCNCC4(C)C)c4c(C5CC5)cncc4n3)ccn2)cc1.

What is the InChIKey of 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine?

The InChIKey is BKABHRXSLKZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7/c1-18-4-8-21(9-5-18)35-25-14-20(10-13-34-25)29-36-24-16-33-15-22(19-6-7-19)26(24)28(37-29)27(31)23-11-12-32-17-30(23,2)3/h4-5,8-10,13-16,19,23,27,32H,6-7,11-12,17,31H2,1-3H3,(H,34,35).

What are the key properties of 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine?

4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine has a molecular weight of 493.66 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 155249922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).