4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide

C23H27N5O3 — CID 127039726

IUPAC4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(C)cc4)CC3)c2c1
InChIInChI=1S/C23H27N5O3/c1-17-3-5-18(6-4-17)25-23(30)27-12-9-26(10-13-27)11-14-28-21-15-19(31-2)16-24-20(21)7-8-22(28)29/h3-8,15-16H,9-14H2,1-2H3,(H,25,30)
InChIKeyCGZWZKGXKDXSRX-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.56
Rot. Bonds5

About 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide

4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 127039726) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID127039726
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(C)cc4)CC3)c2c1
InChIInChI=1S/C23H27N5O3/c1-17-3-5-18(6-4-17)25-23(30)27-12-9-26(10-13-27)11-14-28-21-15-19(31-2)16-24-20(21)7-8-22(28)29/h3-8,15-16H,9-14H2,1-2H3,(H,25,30)
InChIKeyCGZWZKGXKDXSRX-UHFFFAOYSA-N
XLogP2.56
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide (CID 127039726) is 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide is COc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(C)cc4)CC3)c2c1.
What is the InChIKey of 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is CGZWZKGXKDXSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17-3-5-18(6-4-17)25-23(30)27-12-9-26(10-13-27)11-14-28-21-15-19(31-2)16-24-20(21)7-8-22(28)29/h3-8,15-16H,9-14H2,1-2H3,(H,25,30).
What are the key properties of 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 127039726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).