4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide

C35H34N6O2 — CID 167511383

About 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide

4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide (PubChem CID 167511383) has the molecular formula C35H34N6O2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
• PubChem CID: 167511383
• Molecular Formula: C35H34N6O2
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.27
• IUPAC Name: 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
• SMILES: CCN(Cc1ccc(OC)cc1)c1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3C)cc2cn1
• InChI: InChI=1S/C35H34N6O2/c1-6-41(21-24-8-11-29(43-5)12-9-24)33-18-31-26(20-39-33)15-25(19-38-31)30-17-28(10-7-23(30)2)40-34(42)32-16-27(13-14-37-32)35(3,4)22-36/h7-20H,6,21H2,1-5H3,(H,40,42)
• InChIKey: DSUMJQSOZVMONE-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 104.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

The IUPAC name of 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide (CID 167511383) is 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide is CCN(Cc1ccc(OC)cc1)c1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3C)cc2cn1.

What is the InChIKey of 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

The InChIKey is DSUMJQSOZVMONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O2/c1-6-41(21-24-8-11-29(43-5)12-9-24)33-18-31-26(20-39-33)15-25(19-38-31)30-17-28(10-7-23(30)2)40-34(42)32-16-27(13-14-37-32)35(3,4)22-36/h7-20H,6,21H2,1-5H3,(H,40,42).

What are the key properties of 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide has a molecular weight of 570.70 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 167511383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).