N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide

C17H13BrN2O2 — CID 1104022

IUPACN-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H13BrN2O2/c1-22-15-9-12-5-3-2-4-11(12)8-14(15)17(21)20-16-7-6-13(18)10-19-16/h2-10H,1H3,(H,19,20,21)
InChIKeyJVUOBULPEOCTAQ-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.26
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide

N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 1104022) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID1104022
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H13BrN2O2/c1-22-15-9-12-5-3-2-4-11(12)8-14(15)17(21)20-16-7-6-13(18)10-19-16/h2-10H,1H3,(H,19,20,21)
InChIKeyJVUOBULPEOCTAQ-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

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Related Compounds

(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
2-Naphthalenecarboxamide, 3-ethoxy-N-(2-pyridinyl)-
CID 5302933
2-methoxy-N-(2-pyridinyl)benzamide
CID 689500
4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
CID 15232471
4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
CID 15232481
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784
N-(5-bromopyridin-2-yl)-1-methoxynaphthalene-2-carboxamide
CID 603842
1-hydroxy-N-pyridin-2-yl-2-naphthamide
CID 5303058
3-Hydroxy-n-pyridin-2-yl-2-naphthamide
CID 481483
N-(7-(5-methoxy-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095312

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide (CID 1104022) is N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is JVUOBULPEOCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-22-15-9-12-5-3-2-4-11(12)8-14(15)17(21)20-16-7-6-13(18)10-19-16/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-3-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)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 1104022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).