4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide

C23H25ClN4O3 — CID 91800637

IUPAC4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=O)c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C23H25ClN4O3/c1-31-19-14-21-20(25-15-19)6-7-22(29)28(21)13-12-27-10-8-18(9-11-27)26-23(30)16-2-4-17(24)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,26,30)
InChIKeyCBNWXUCOHJVFQM-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.95
Rot. Bonds6

About 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide

4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 91800637) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID91800637
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=O)c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C23H25ClN4O3/c1-31-19-14-21-20(25-15-19)6-7-22(29)28(21)13-12-27-10-8-18(9-11-27)26-23(30)16-2-4-17(24)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,26,30)
InChIKeyCBNWXUCOHJVFQM-UHFFFAOYSA-N
XLogP2.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide (CID 91800637) is 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide is COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is CBNWXUCOHJVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-31-19-14-21-20(25-15-19)6-7-22(29)28(21)13-12-27-10-8-18(9-11-27)26-23(30)16-2-4-17(24)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,26,30).
What are the key properties of 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide?
4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 440.93 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91800637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).