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

C22H24ClN5O3 — CID 127042673

IUPACN-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C22H24ClN5O3/c1-31-18-14-20-19(24-15-18)6-7-21(29)28(20)13-10-26-8-11-27(12-9-26)22(30)25-17-4-2-16(23)3-5-17/h2-7,14-15H,8-13H2,1H3,(H,25,30)
InChIKeyZPEZLPJGHTVKPP-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.91
Rot. Bonds5

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

N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 127042673) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID127042673
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC NameN-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C22H24ClN5O3/c1-31-18-14-20-19(24-15-18)6-7-21(29)28(20)13-10-26-8-11-27(12-9-26)22(30)25-17-4-2-16(23)3-5-17/h2-7,14-15H,8-13H2,1H3,(H,25,30)
InChIKeyZPEZLPJGHTVKPP-UHFFFAOYSA-N
XLogP2.91
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide (CID 127042673) is N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide is COc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is ZPEZLPJGHTVKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-31-18-14-20-19(24-15-18)6-7-21(29)28(20)13-10-26-8-11-27(12-9-26)22(30)25-17-4-2-16(23)3-5-17/h2-7,14-15H,8-13H2,1H3,(H,25,30).
What are the key properties of N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 127042673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).