N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide

C17H17N5O2 — CID 95130947

IUPACN-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@@H](CNC(=O)c1cccc(-n2cnnc2)c1)Oc1cccnc1
InChIInChI=1S/C17H17N5O2/c1-13(24-16-6-3-7-18-10-16)9-19-17(23)14-4-2-5-15(8-14)22-11-20-21-12-22/h2-8,10-13H,9H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyNIOWILYSVKUMPS-ZDUSSCGKSA-N
MW323.36 g/mol
LogP1.86
Rot. Bonds6

About N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 95130947) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID95130947
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@@H](CNC(=O)c1cccc(-n2cnnc2)c1)Oc1cccnc1
InChIInChI=1S/C17H17N5O2/c1-13(24-16-6-3-7-18-10-16)9-19-17(23)14-4-2-5-15(8-14)22-11-20-21-12-22/h2-8,10-13H,9H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyNIOWILYSVKUMPS-ZDUSSCGKSA-N
XLogP1.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
CID 125445501
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97123755
4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
CID 169421708
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 95130947) is N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide is C[C@@H](CNC(=O)c1cccc(-n2cnnc2)c1)Oc1cccnc1.
What is the InChIKey of N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is NIOWILYSVKUMPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-13(24-16-6-3-7-18-10-16)9-19-17(23)14-4-2-5-15(8-14)22-11-20-21-12-22/h2-8,10-13H,9H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 95130947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).