3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

C17H17N5O2 — CID 164630300

IUPAC3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C17H17N5O2/c1-11(14-5-3-4-8-19-14)24-16-7-6-12(17(18)23)9-13(16)15-10-22(2)21-20-15/h3-11H,1-2H3,(H2,18,23)/t11-/m0/s1
InChIKeyRMXRSLCBJGXWEG-NSHDSACASA-N
MW323.36 g/mol
LogP2.12
Rot. Bonds5

About 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (PubChem CID 164630300) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.

Molecular Properties

Compound Name3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
PubChem CID164630300
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C17H17N5O2/c1-11(14-5-3-4-8-19-14)24-16-7-6-12(17(18)23)9-13(16)15-10-22(2)21-20-15/h3-11H,1-2H3,(H2,18,23)/t11-/m0/s1
InChIKeyRMXRSLCBJGXWEG-NSHDSACASA-N
XLogP2.12
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The IUPAC name of 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (CID 164630300) is 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.
What is the SMILES notation for 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The canonical SMILES for 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is C[C@H](Oc1ccc(C(N)=O)cc1-c1cn(C)nn1)c1ccccn1.
What is the InChIKey of 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The InChIKey is RMXRSLCBJGXWEG-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11(14-5-3-4-8-19-14)24-16-7-6-12(17(18)23)9-13(16)15-10-22(2)21-20-15/h3-11H,1-2H3,(H2,18,23)/t11-/m0/s1.
What are the key properties of 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is sourced from PubChem (CID 164630300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).