N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide

C26H27N7O2 — CID 157466044

About N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide

N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide (PubChem CID 157466044) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide
• PubChem CID: 157466044
• Molecular Formula: C26H27N7O2
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.22
• IUPAC Name: N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(C(=O)Cc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1
• InChI: InChI=1S/C26H27N7O2/c1-27-26(35)23-6-4-18(14-29-23)25(34)12-20-11-24-17(13-28-20)3-5-22(31-24)19-15-30-33(16-19)21-7-9-32(2)10-8-21/h3-6,11,13-16,21H,7-10,12H2,1-2H3,(H,27,35)
• InChIKey: BUMKQGRHDLMODF-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide (CID 157466044) is N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide is CNC(=O)c1ccc(C(=O)Cc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1.

What is the InChIKey of N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide?

The InChIKey is BUMKQGRHDLMODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-27-26(35)23-6-4-18(14-29-23)25(34)12-20-11-24-17(13-28-20)3-5-22(31-24)19-15-30-33(16-19)21-7-9-32(2)10-8-21/h3-6,11,13-16,21H,7-10,12H2,1-2H3,(H,27,35).

What are the key properties of N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide?

N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide is sourced from PubChem (CID 157466044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).