N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide

C32H26N6O2 — CID 159598784

About N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide

N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 159598784) has the molecular formula C32H26N6O2 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide
• PubChem CID: 159598784
• Molecular Formula: C32H26N6O2
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.21
• IUPAC Name: N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide
• SMILES: Cc1ccc(Nc2ncc3cc(-c4cc(NC(=O)c5ccc6ccccc6c5)ccc4C)n(C)c(=O)c3n2)cn1
• InChI: InChI=1S/C32H26N6O2/c1-19-8-12-25(35-30(39)23-11-10-21-6-4-5-7-22(21)14-23)16-27(19)28-15-24-17-34-32(37-29(24)31(40)38(28)3)36-26-13-9-20(2)33-18-26/h4-18H,1-3H3,(H,35,39)(H,34,36,37)
• InChIKey: MLEPSBPACAEVQI-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide?

The IUPAC name of N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide (CID 159598784) is N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide is Cc1ccc(Nc2ncc3cc(-c4cc(NC(=O)c5ccc6ccccc6c5)ccc4C)n(C)c(=O)c3n2)cn1.

What is the InChIKey of N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide?

The InChIKey is MLEPSBPACAEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O2/c1-19-8-12-25(35-30(39)23-11-10-21-6-4-5-7-22(21)14-23)16-27(19)28-15-24-17-34-32(37-29(24)31(40)38(28)3)36-26-13-9-20(2)33-18-26/h4-18H,1-3H3,(H,35,39)(H,34,36,37).

What are the key properties of N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide?

N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 159598784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).