N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C17H17N5O2 — CID 38450679

IUPACN-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cccnc2-n2cncn2)cc1
InChIInChI=1S/C17H17N5O2/c1-13-4-6-14(7-5-13)24-10-9-20-17(23)15-3-2-8-19-16(15)22-12-18-11-21-22/h2-8,11-12H,9-10H2,1H3,(H,20,23)
InChIKeyKXDYSDFHANRJCN-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 38450679) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID38450679
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cccnc2-n2cncn2)cc1
InChIInChI=1S/C17H17N5O2/c1-13-4-6-14(7-5-13)24-10-9-20-17(23)15-3-2-8-19-16(15)22-12-18-11-21-22/h2-8,11-12H,9-10H2,1H3,(H,20,23)
InChIKeyKXDYSDFHANRJCN-UHFFFAOYSA-N
XLogP1.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-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

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 51092114
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55744071
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51077253
1-(3-butoxypropyl)-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 60616709
N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 26126330
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111277189
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31700856
2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 154837842
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 38450679) is N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1ccc(OCCNC(=O)c2cccnc2-n2cncn2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is KXDYSDFHANRJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-13-4-6-14(7-5-13)24-10-9-20-17(23)15-3-2-8-19-16(15)22-12-18-11-21-22/h2-8,11-12H,9-10H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 38450679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).