4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide

C24H27BrN4O2 — CID 15232481

IUPAC4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
SMILESCCOc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C24H27BrN4O2/c1-2-31-23-19-8-4-3-7-18(19)21(25)17-20(23)24(30)27-11-12-28-13-15-29(16-14-28)22-9-5-6-10-26-22/h3-10,17H,2,11-16H2,1H3,(H,27,30)
InChIKeyIRUKZAGWAZWZBI-UHFFFAOYSA-N
MW483.41 g/mol
LogP3.95
Rot. Bonds7

About 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide

4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 15232481) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
PubChem CID15232481
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
SMILESCCOc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C24H27BrN4O2/c1-2-31-23-19-8-4-3-7-18(19)21(25)17-20(23)24(30)27-11-12-28-13-15-29(16-14-28)22-9-5-6-10-26-22/h3-10,17H,2,11-16H2,1H3,(H,27,30)
InChIKeyIRUKZAGWAZWZBI-UHFFFAOYSA-N
XLogP3.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide (CID 15232481) is 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide is CCOc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is IRUKZAGWAZWZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-2-31-23-19-8-4-3-7-18(19)21(25)17-20(23)24(30)27-11-12-28-13-15-29(16-14-28)22-9-5-6-10-26-22/h3-10,17H,2,11-16H2,1H3,(H,27,30).
What are the key properties of 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 483.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 15232481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).