5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

C17H13ClN2O — CID 2995794

IUPAC5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C17H13ClN2O/c18-16-8-2-5-13-14(16)6-1-7-15(13)17(21)20-11-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyOEWYNGKYEDBGGI-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.82
Rot. Bonds3

About 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (PubChem CID 2995794) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
PubChem CID2995794
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C17H13ClN2O/c18-16-8-2-5-13-14(16)6-1-7-15(13)17(21)20-11-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyOEWYNGKYEDBGGI-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide
CID 1048047
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (CID 2995794) is 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is O=C(NCc1cccnc1)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is OEWYNGKYEDBGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-16-8-2-5-13-14(16)6-1-7-15(13)17(21)20-11-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21).
What are the key properties of 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 2995794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).