2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

C17H17N5O2 — CID 16672586

IUPAC2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESCOC(C(=O)NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1
InChIInChI=1S/C17H17N5O2/c1-24-15(12-5-3-2-4-6-12)17(23)19-11-14-20-16(22-21-14)13-7-9-18-10-8-13/h2-10,15H,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyBWTIETITDWHRJM-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.87
Rot. Bonds6

About 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (PubChem CID 16672586) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
PubChem CID16672586
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESCOC(C(=O)NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1
InChIInChI=1S/C17H17N5O2/c1-24-15(12-5-3-2-4-6-12)17(23)19-11-14-20-16(22-21-14)13-7-9-18-10-8-13/h2-10,15H,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyBWTIETITDWHRJM-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329
(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 136728323
tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 117074437
(3S)-3-phenyl-3-pyridin-2-yl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97283340
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
CID 99949568
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 131925368
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
1-(2-methylbutyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 155951877
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (CID 16672586) is 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is COC(C(=O)NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The InChIKey is BWTIETITDWHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-15(12-5-3-2-4-6-12)17(23)19-11-14-20-16(22-21-14)13-7-9-18-10-8-13/h2-10,15H,11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 16672586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).