N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide

C25H21ClN6O — CID 167511512

About N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide

N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide (PubChem CID 167511512) has the molecular formula C25H21ClN6O and a molecular weight of 456.94 g/mol. Its IUPAC name is N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
• PubChem CID: 167511512
• Molecular Formula: C25H21ClN6O
• Molecular Weight: 456.94 g/mol
• Exact Mass: 456.15
• IUPAC Name: N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
• SMILES: CNc1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3Cl)cc2cn1
• InChI: InChI=1S/C25H21ClN6O/c1-25(2,14-27)17-6-7-29-22(9-17)24(33)32-18-4-5-20(26)19(10-18)15-8-16-13-31-23(28-3)11-21(16)30-12-15/h4-13H,1-3H3,(H,28,31)(H,32,33)
• InChIKey: GYSUROCIXWLWHN-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.94
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide?

The IUPAC name of N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide (CID 167511512) is N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide is CNc1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3Cl)cc2cn1.

What is the InChIKey of N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide?

The InChIKey is GYSUROCIXWLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O/c1-25(2,14-27)17-6-7-29-22(9-17)24(33)32-18-4-5-20(26)19(10-18)15-8-16-13-31-23(28-3)11-21(16)30-12-15/h4-13H,1-3H3,(H,28,31)(H,32,33).

What are the key properties of N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide?

N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide has a molecular weight of 456.94 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167511512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).