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

C23H25BrN4O2 — CID 15232471

IUPAC4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C23H25BrN4O2/c1-30-22-18-7-3-2-6-17(18)20(24)16-19(22)23(29)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-25-21/h2-9,16H,10-15H2,1H3,(H,26,29)
InChIKeyKDPMUYMEKOJROI-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.56
Rot. Bonds6

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

4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 15232471) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
PubChem CID15232471
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C23H25BrN4O2/c1-30-22-18-7-3-2-6-17(18)20(24)16-19(22)23(29)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-25-21/h2-9,16H,10-15H2,1H3,(H,26,29)
InChIKeyKDPMUYMEKOJROI-UHFFFAOYSA-N
XLogP3.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide (CID 15232471) is 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide is COc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is KDPMUYMEKOJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-30-22-18-7-3-2-6-17(18)20(24)16-19(22)23(29)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-25-21/h2-9,16H,10-15H2,1H3,(H,26,29).
What are the key properties of 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide?
4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 15232471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).