N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide

C21H18N2O3 — CID 146522303

IUPACN-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCNC(=O)c1ncc(C#CCOc2ccc3ccccc3c2)cc1O
InChIInChI=1S/C21H18N2O3/c1-2-22-21(25)20-19(24)12-15(14-23-20)6-5-11-26-18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,12-14,24H,2,11H2,1H3,(H,22,25)
InChIKeyHDOWNDNESOVGHE-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.12
Rot. Bonds4

About N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide

N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 146522303) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID146522303
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCNC(=O)c1ncc(C#CCOc2ccc3ccccc3c2)cc1O
InChIInChI=1S/C21H18N2O3/c1-2-22-21(25)20-19(24)12-15(14-23-20)6-5-11-26-18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,12-14,24H,2,11H2,1H3,(H,22,25)
InChIKeyHDOWNDNESOVGHE-UHFFFAOYSA-N
XLogP3.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
CID 158007162
2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 129027096
2-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027272
2-[[3-hydroxy-5-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 162646726
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate
CID 168937798
propan-2-yl 2-[[5-[3-(4-cyanophenoxy)prop-1-ynyl]-3-nitrosopyridine-2-carbonyl]amino]acetate
CID 146523005
2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580105
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide (CID 146522303) is N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide is CCNC(=O)c1ncc(C#CCOc2ccc3ccccc3c2)cc1O.
What is the InChIKey of N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is HDOWNDNESOVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-22-21(25)20-19(24)12-15(14-23-20)6-5-11-26-18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,12-14,24H,2,11H2,1H3,(H,22,25).
What are the key properties of N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide?
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 146522303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).