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

C22H24BrN5O3 — CID 127039725

IUPACN-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(Br)cc4)CC3)c2c1
InChIInChI=1S/C22H24BrN5O3/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)
InChIKeyDIRYYEVNHVOPET-UHFFFAOYSA-N
MW486.37 g/mol
LogP3.02
Rot. Bonds5

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

N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 127039725) has the molecular formula C22H24BrN5O3 and a molecular weight of 486.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID127039725
Molecular FormulaC22H24BrN5O3
Molecular Weight486.37 g/mol
Exact Mass485.11
IUPAC NameN-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(Br)cc4)CC3)c2c1
InChIInChI=1S/C22H24BrN5O3/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)
InChIKeyDIRYYEVNHVOPET-UHFFFAOYSA-N
XLogP3.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide (CID 127039725) is N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide is COc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(Br)cc4)CC3)c2c1.
What is the InChIKey of N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is DIRYYEVNHVOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O3/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-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide?
N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 127039725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).