N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide

C24H28N6O2 — CID 167845053

About N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 167845053) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 167845053
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: CC1=CC2N=CC([C@@H](C)N3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)=CC2=NC1=O
• InChI: InChI=1S/C24H28N6O2/c1-15-11-21-22(28-23(15)31)12-17(13-25-21)16(2)29-7-9-30(10-8-29)19-5-6-20(26-14-19)24(32)27-18-3-4-18/h5-6,11-14,16,18,21H,3-4,7-10H2,1-2H3,(H,27,32)/t16-,21?/m1/s1
• InChIKey: WBCHIIJBOJYWSA-UJONTBEJSA-N
• XLogP: 1.79
• TPSA: 90.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide (CID 167845053) is N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide is CC1=CC2N=CC([C@@H](C)N3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)=CC2=NC1=O.

What is the InChIKey of N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is WBCHIIJBOJYWSA-UJONTBEJSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15-11-21-22(28-23(15)31)12-17(13-25-21)16(2)29-7-9-30(10-8-29)19-5-6-20(26-14-19)24(32)27-18-3-4-18/h5-6,11-14,16,18,21H,3-4,7-10H2,1-2H3,(H,27,32)/t16-,21?/m1/s1.

What are the key properties of N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide?

N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167845053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).