1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide

C22H28N6O — CID 138587966

About 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide

1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide (PubChem CID 138587966) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
• PubChem CID: 138587966
• Molecular Formula: C22H28N6O
• Molecular Weight: 392.51 g/mol
• Exact Mass: 392.23
• IUPAC Name: 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
• SMILES: CC(C)CN1CCCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)C1
• InChI: InChI=1S/C22H28N6O/c1-15(2)12-28-6-4-5-16(14-28)22(29)26-21-8-17-7-20(19-11-25-27(3)13-19)23-9-18(17)10-24-21/h7-11,13,15-16H,4-6,12,14H2,1-3H3,(H,24,26,29)
• InChIKey: VASSISYRJREMBS-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.51
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide (CID 138587966) is 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide is CC(C)CN1CCCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)C1.

What is the InChIKey of 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide?

The InChIKey is VASSISYRJREMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(2)12-28-6-4-5-16(14-28)22(29)26-21-8-17-7-20(19-11-25-27(3)13-19)23-9-18(17)10-24-21/h7-11,13,15-16H,4-6,12,14H2,1-3H3,(H,24,26,29).

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

1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 138587966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).