N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C18H19N5O2 — CID 51092114

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)c2cccnc2-n2cncn2)c1
InChIInChI=1S/C18H19N5O2/c1-13-8-14(2)10-15(9-13)25-7-6-21-18(24)16-4-3-5-20-17(16)23-12-19-11-22-23/h3-5,8-12H,6-7H2,1-2H3,(H,21,24)
InChIKeyWQHSZPROIAZXGG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 51092114) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID51092114
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)c2cccnc2-n2cncn2)c1
InChIInChI=1S/C18H19N5O2/c1-13-8-14(2)10-15(9-13)25-7-6-21-18(24)16-4-3-5-20-17(16)23-12-19-11-22-23/h3-5,8-12H,6-7H2,1-2H3,(H,21,24)
InChIKeyWQHSZPROIAZXGG-UHFFFAOYSA-N
XLogP2.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 38450679
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55744071
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62235691
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
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60573209
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 24696176

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 51092114) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)cc(OCCNC(=O)c2cccnc2-n2cncn2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is WQHSZPROIAZXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-8-14(2)10-15(9-13)25-7-6-21-18(24)16-4-3-5-20-17(16)23-12-19-11-22-23/h3-5,8-12H,6-7H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 51092114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).