N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide

C20H21N5O — CID 56884755

About N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 56884755) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
• PubChem CID: 56884755
• Molecular Formula: C20H21N5O
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.17
• IUPAC Name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
• SMILES: Cc1ncc2c(c1CNC(=O)c1cccc(-n3cccn3)c1)CCNC2
• InChI: InChI=1S/C20H21N5O/c1-14-19(18-6-8-21-11-16(18)12-22-14)13-23-20(26)15-4-2-5-17(10-15)25-9-3-7-24-25/h2-5,7,9-10,12,21H,6,8,11,13H2,1H3,(H,23,26)
• InChIKey: ZMYXJTAIGNWGGS-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?

The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 56884755) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide.

What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?

The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide is Cc1ncc2c(c1CNC(=O)c1cccc(-n3cccn3)c1)CCNC2.

What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?

The InChIKey is ZMYXJTAIGNWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-19(18-6-8-21-11-16(18)12-22-14)13-23-20(26)15-4-2-5-17(10-15)25-9-3-7-24-25/h2-5,7,9-10,12,21H,6,8,11,13H2,1H3,(H,23,26).

What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 56884755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).