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

C17H17N5O2 — CID 75508297

IUPAC2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N5O2/c1-24-17-13(8-5-10-19-17)16(23)18-11-9-14-20-15(22-21-14)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,23)(H,20,21,22)
InChIKeyTUXIQHDPLDMFQM-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.85
Rot. Bonds6

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

2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 75508297) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID75508297
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N5O2/c1-24-17-13(8-5-10-19-17)16(23)18-11-9-14-20-15(22-21-14)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,23)(H,20,21,22)
InChIKeyTUXIQHDPLDMFQM-UHFFFAOYSA-N
XLogP1.85
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
CID 56524162
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea
CID 50801462
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
CID 52807858
2-methoxy-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53090224
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (CID 75508297) is 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is TUXIQHDPLDMFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-17-13(8-5-10-19-17)16(23)18-11-9-14-20-15(22-21-14)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,23)(H,20,21,22).
What are the key properties of 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75508297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).