2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide

C19H17N5O2 — CID 46963211

IUPAC2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NC(C)c3nc(-c4ccncc4)n[nH]3)ccc2o1
InChIInChI=1S/C19H17N5O2/c1-11-9-15-10-14(3-4-16(15)26-11)19(25)21-12(2)17-22-18(24-23-17)13-5-7-20-8-6-13/h3-10,12H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyLTWMAGXDRGWNLQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.41
Rot. Bonds4

About 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide

2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide (PubChem CID 46963211) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
PubChem CID46963211
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NC(C)c3nc(-c4ccncc4)n[nH]3)ccc2o1
InChIInChI=1S/C19H17N5O2/c1-11-9-15-10-14(3-4-16(15)26-11)19(25)21-12(2)17-22-18(24-23-17)13-5-7-20-8-6-13/h3-10,12H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyLTWMAGXDRGWNLQ-UHFFFAOYSA-N
XLogP3.41
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 51493984
2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 143616095
2-chloro-N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 7451552
3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 16672583
6,7-dimethyl-4-oxo-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
CID 16673481
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 16674422
N-[1-(dimethylamino)propan-2-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 74236489
1-benzyl-3-[(1S)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 7451545
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
CID 72845547
5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 46963206
1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 16674426
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide (CID 46963211) is 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)NC(C)c3nc(-c4ccncc4)n[nH]3)ccc2o1.
What is the InChIKey of 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide?
The InChIKey is LTWMAGXDRGWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-9-15-10-14(3-4-16(15)26-11)19(25)21-12(2)17-22-18(24-23-17)13-5-7-20-8-6-13/h3-10,12H,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide?
2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46963211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).