3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide

C18H17N2O2+ — CID 57112556

IUPAC3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NCC[n+]1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H16N2O2/c21-17-13-15-7-3-2-6-14(15)12-16(17)18(22)19-8-11-20-9-4-1-5-10-20/h1-7,9-10,12-13H,8,11H2,(H-,19,21,22)/p+1
InChIKeyNHKSGEKKZWMPQA-UHFFFAOYSA-O
MW293.35 g/mol
LogP2.26
Rot. Bonds4

About 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide

3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide (PubChem CID 57112556) has the molecular formula C18H17N2O2+ and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
PubChem CID57112556
Molecular FormulaC18H17N2O2+
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NCC[n+]1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H16N2O2/c21-17-13-15-7-3-2-6-14(15)12-16(17)18(22)19-8-11-20-9-4-1-5-10-20/h1-7,9-10,12-13H,8,11H2,(H-,19,21,22)/p+1
InChIKeyNHKSGEKKZWMPQA-UHFFFAOYSA-O
XLogP2.26
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide (CID 57112556) is 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide is O=C(NCC[n+]1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide?
The InChIKey is NHKSGEKKZWMPQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N2O2/c21-17-13-15-7-3-2-6-14(15)12-16(17)18(22)19-8-11-20-9-4-1-5-10-20/h1-7,9-10,12-13H,8,11H2,(H-,19,21,22)/p+1.
What are the key properties of 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide?
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 57112556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).