1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H18N2O2 — CID 126790226

IUPAC1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C17H18N2O2/c20-16-14-6-2-1-5-13(14)7-8-15(16)17(21)19-11-12-4-3-9-18-10-12/h3-4,7-10,20H,1-2,5-6,11H2,(H,19,21)
InChIKeyZLGVTVCIJNSDEZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.60
Rot. Bonds3

About 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 126790226) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID126790226
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C17H18N2O2/c20-16-14-6-2-1-5-13(14)7-8-15(16)17(21)19-11-12-4-3-9-18-10-12/h3-4,7-10,20H,1-2,5-6,11H2,(H,19,21)
InChIKeyZLGVTVCIJNSDEZ-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 126790220
4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54680309
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
2-amino-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 843554
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
1-butyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587717
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
1-hydroxy-N-(pyridin-3-ylmethyl)-3H-2,1-benzoxaborole-6-carboxamide
CID 157476227

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 126790226) is 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCc1cccnc1)c1ccc2c(c1O)CCCC2.
What is the InChIKey of 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZLGVTVCIJNSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-14-6-2-1-5-13(14)7-8-15(16)17(21)19-11-12-4-3-9-18-10-12/h3-4,7-10,20H,1-2,5-6,11H2,(H,19,21).
What are the key properties of 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 126790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).