5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H24N6O3 — CID 167367293

IUPAC5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2=O)cn1
InChIInChI=1S/C23H24N6O3/c1-24-23(32)18-5-4-16(11-26-18)29-7-6-28(13-21(29)30)12-14-8-20-19(25-10-14)9-17(15-2-3-15)22(31)27-20/h4-5,8-11,15H,2-3,6-7,12-13H2,1H3,(H,24,32)(H,27,31)
InChIKeyYGJOHSCQVDSPAF-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.40
Rot. Bonds5

About 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 167367293) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID167367293
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2=O)cn1
InChIInChI=1S/C23H24N6O3/c1-24-23(32)18-5-4-16(11-26-18)29-7-6-28(13-21(29)30)12-14-8-20-19(25-10-14)9-17(15-2-3-15)22(31)27-20/h4-5,8-11,15H,2-3,6-7,12-13H2,1H3,(H,24,32)(H,27,31)
InChIKeyYGJOHSCQVDSPAF-UHFFFAOYSA-N
XLogP1.40
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 167367293) is 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2=O)cn1.
What is the InChIKey of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is YGJOHSCQVDSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-24-23(32)18-5-4-16(11-26-18)29-7-6-28(13-21(29)30)12-14-8-20-19(25-10-14)9-17(15-2-3-15)22(31)27-20/h4-5,8-11,15H,2-3,6-7,12-13H2,1H3,(H,24,32)(H,27,31).
What are the key properties of 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167367293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).