5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid

C17H16N2O3 — CID 166178703

IUPAC5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16N2O3/c20-16(19-14-7-8-15(17(21)22)18-10-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,19,20)(H,21,22)
InChIKeyBQODXCLYRAFAJT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.91
Rot. Bonds3

About 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid

5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid (PubChem CID 166178703) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
PubChem CID166178703
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16N2O3/c20-16(19-14-7-8-15(17(21)22)18-10-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,19,20)(H,21,22)
InChIKeyBQODXCLYRAFAJT-UHFFFAOYSA-N
XLogP2.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 113339578
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
N-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18876232
2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
CID 63652531
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid (CID 166178703) is 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)nc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid?
The InChIKey is BQODXCLYRAFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(19-14-7-8-15(17(21)22)18-10-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,19,20)(H,21,22).
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid?
5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 166178703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).