N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide

C14H14N2O2 — CID 139518684

IUPACN-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C14H14N2O2/c1-2-10-5-6-12(13(17)8-10)16-14(18)11-4-3-7-15-9-11/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeyVOAXGTRHRKRUGW-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.60
Rot. Bonds3

About N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide

N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 139518684) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID139518684
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C14H14N2O2/c1-2-10-5-6-12(13(17)8-10)16-14(18)11-4-3-7-15-9-11/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeyVOAXGTRHRKRUGW-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
5-bromo-N-(5-sec-butyl-2-hydroxyphenyl)nicotinamide
CID 2941334
N-[5-(butan-2-yl)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 2999843
5-bromo-N-(2-hydroxy-5-isopropylphenyl)nicotinamide
CID 3242278
N-(2-methoxyphenyl)nicotinamide
CID 787042
(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 6020915
5-bromo-N-(2-hydroxy-4-methylphenyl)nicotinamide
CID 753638
N-Nicotinoyl tyramine
CID 3043417
N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218550
N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218552
N-(3-Methoxy-5,6,7,8-tetrahydro-naphthalen-2-yl)-nicotinamide
CID 649049
N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothioyl}nicotinamide
CID 889369

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide (CID 139518684) is N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cccnc2)c(O)c1.
What is the InChIKey of N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is VOAXGTRHRKRUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-10-5-6-12(13(17)8-10)16-14(18)11-4-3-7-15-9-11/h3-9,17H,2H2,1H3,(H,16,18).
What are the key properties of N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide?
N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 242.28 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 N-(4-ethyl-2-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 139518684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).