N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide

C17H13BrN2O2 — CID 603842

IUPACN-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Br)cn2)ccc2ccccc12
InChIInChI=1S/C17H13BrN2O2/c1-22-16-13-5-3-2-4-11(13)6-8-14(16)17(21)20-15-9-7-12(18)10-19-15/h2-10H,1H3,(H,19,20,21)
InChIKeyPOLLZJPRTCPLMT-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.26
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide

N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide (PubChem CID 603842) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide
PubChem CID603842
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Br)cn2)ccc2ccccc12
InChIInChI=1S/C17H13BrN2O2/c1-22-16-13-5-3-2-4-11(13)6-8-14(16)17(21)20-15-9-7-12(18)10-19-15/h2-10H,1H3,(H,19,20,21)
InChIKeyPOLLZJPRTCPLMT-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide (CID 603842) is N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc(Br)cn2)ccc2ccccc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide?
The InChIKey is POLLZJPRTCPLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-22-16-13-5-3-2-4-11(13)6-8-14(16)17(21)20-15-9-7-12(18)10-19-15/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 603842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).