1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

C23H25N5O3 — CID 92635565

About 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 92635565) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 92635565
• Molecular Formula: C23H25N5O3
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.20
• IUPAC Name: 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
• SMILES: O=C(Cn1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ccc1=O)NC1CCCC1
• InChI: InChI=1S/C23H25N5O3/c29-21(25-19-6-1-2-7-19)16-27-15-18(9-10-22(27)30)23(31)26-20-8-3-5-17(13-20)14-28-12-4-11-24-28/h3-5,8-13,15,19H,1-2,6-7,14,16H2,(H,25,29)(H,26,31)
• InChIKey: UJMKRCOHBFWXLZ-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 98.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 92635565) is 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is O=C(Cn1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ccc1=O)NC1CCCC1.

What is the InChIKey of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is UJMKRCOHBFWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-21(25-19-6-1-2-7-19)16-27-15-18(9-10-22(27)30)23(31)26-20-8-3-5-17(13-20)14-28-12-4-11-24-28/h3-5,8-13,15,19H,1-2,6-7,14,16H2,(H,25,29)(H,26,31).

What are the key properties of 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?

1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).