N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide

C27H26F2N6O2 — CID 118646910

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646910) has the molecular formula C27H26F2N6O2 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide
• PubChem CID: 118646910
• Molecular Formula: C27H26F2N6O2
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide
• SMILES: COc1cc(F)c(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc3c2)c(F)c1
• InChI: InChI=1S/C27H26F2N6O2/c1-15-7-17(30)14-35(13-15)25-5-6-31-12-24(25)34-27(36)22-4-3-21-23(33-22)8-16(11-32-21)26-19(28)9-18(37-2)10-20(26)29/h3-6,8-12,15,17H,7,13-14,30H2,1-2H3,(H,34,36)/t15-,17+/m1/s1
• InChIKey: OTOZDSSVTUQGGW-WBVHZDCISA-N
• XLogP: 4.40
• TPSA: 106.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide?

The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide (CID 118646910) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide.

What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide?

The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide is COc1cc(F)c(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc3c2)c(F)c1.

What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide?

The InChIKey is OTOZDSSVTUQGGW-WBVHZDCISA-N. The full InChI is InChI=1S/C27H26F2N6O2/c1-15-7-17(30)14-35(13-15)25-5-6-31-12-24(25)34-27(36)22-4-3-21-23(33-22)8-16(11-32-21)26-19(28)9-18(37-2)10-20(26)29/h3-6,8-12,15,17H,7,13-14,30H2,1-2H3,(H,34,36)/t15-,17+/m1/s1.

What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide?

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluoro-4-methoxyphenyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).