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

C25H20ClFN6O — CID 167511769

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

N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide (PubChem CID 167511769) has the molecular formula C25H20ClFN6O and a molecular weight of 474.93 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
• PubChem CID: 167511769
• Molecular Formula: C25H20ClFN6O
• Molecular Weight: 474.93 g/mol
• Exact Mass: 474.14
• IUPAC Name: N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
• SMILES: CNc1cc2ncc(-c3c(Cl)ccc(NC(=O)c4cc(C(C)(C)C#N)ccn4)c3F)cc2cn1
• InChI: InChI=1S/C25H20ClFN6O/c1-25(2,13-28)16-6-7-30-20(9-16)24(34)33-18-5-4-17(26)22(23(18)27)15-8-14-11-32-21(29-3)10-19(14)31-12-15/h4-12H,1-3H3,(H,29,32)(H,33,34)
• InChIKey: LAOKUEQMYBKPRY-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.93
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide (CID 167511769) is N-[4-chloro-2-fluoro-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-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide is CNc1cc2ncc(-c3c(Cl)ccc(NC(=O)c4cc(C(C)(C)C#N)ccn4)c3F)cc2cn1.

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

The InChIKey is LAOKUEQMYBKPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6O/c1-25(2,13-28)16-6-7-30-20(9-16)24(34)33-18-5-4-17(26)22(23(18)27)15-8-14-11-32-21(29-3)10-19(14)31-12-15/h4-12H,1-3H3,(H,29,32)(H,33,34).

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

N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide has a molecular weight of 474.93 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-fluoro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167511769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).