1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

C22H27N7O — CID 138590247

About 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (PubChem CID 138590247) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
• PubChem CID: 138590247
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
• SMILES: CC(C)Nc1cncc(-c2cnc3cnc(NC(=O)C4CCN(C)CC4)cc3c2)n1
• InChI: InChI=1S/C22H27N7O/c1-14(2)26-21-13-23-11-19(27-21)17-8-16-9-20(25-12-18(16)24-10-17)28-22(30)15-4-6-29(3)7-5-15/h8-15H,4-7H2,1-3H3,(H,26,27)(H,25,28,30)
• InChIKey: QTBGFCCGBFEEMP-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 95.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?

The IUPAC name of 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (CID 138590247) is 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is CC(C)Nc1cncc(-c2cnc3cnc(NC(=O)C4CCN(C)CC4)cc3c2)n1.

What is the InChIKey of 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?

The InChIKey is QTBGFCCGBFEEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-14(2)26-21-13-23-11-19(27-21)17-8-16-9-20(25-12-18(16)24-10-17)28-22(30)15-4-6-29(3)7-5-15/h8-15H,4-7H2,1-3H3,(H,26,27)(H,25,28,30).

What are the key properties of 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?

1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138590247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).