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

C17H13ClN2O2 — CID 738260

IUPACN-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H13ClN2O2/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)
InChIKeyHDVBKUAELRXEJJ-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.15
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 738260) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID738260
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H13ClN2O2/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)
InChIKeyHDVBKUAELRXEJJ-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide (CID 738260) is N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is HDVBKUAELRXEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/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-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 738260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).