5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C21H24N6O2 — CID 164622306

IUPAC5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCc1cc2cnc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H24N6O2/c1-2-14-9-15-11-23-16(10-19(15)25-21(14)29)13-26-5-7-27(8-6-26)17-3-4-18(20(22)28)24-12-17/h3-4,9-12H,2,5-8,13H2,1H3,(H2,22,28)(H,25,29)
InChIKeyJJHGXNLCBUHNCN-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.30
Rot. Bonds5

About 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 164622306) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID164622306
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCc1cc2cnc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H24N6O2/c1-2-14-9-15-11-23-16(10-19(15)25-21(14)29)13-26-5-7-27(8-6-26)17-3-4-18(20(22)28)24-12-17/h3-4,9-12H,2,5-8,13H2,1H3,(H2,22,28)(H,25,29)
InChIKeyJJHGXNLCBUHNCN-UHFFFAOYSA-N
XLogP1.30
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 164622306) is 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CCc1cc2cnc(CN3CCN(c4ccc(C(N)=O)nc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is JJHGXNLCBUHNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-14-9-15-11-23-16(10-19(15)25-21(14)29)13-26-5-7-27(8-6-26)17-3-4-18(20(22)28)24-12-17/h3-4,9-12H,2,5-8,13H2,1H3,(H2,22,28)(H,25,29).
What are the key properties of 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164622306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).