N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide

C19H20N6O — CID 154801442

IUPACN-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCN(c2cccnc2)C1)c1ccccc1Cn1cncn1
InChIInChI=1S/C19H20N6O/c26-19(18-6-2-1-4-15(18)11-25-14-21-13-22-25)23-16-7-9-24(12-16)17-5-3-8-20-10-17/h1-6,8,10,13-14,16H,7,9,11-12H2,(H,23,26)
InChIKeyHDIWZLUKHIISPA-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.73
Rot. Bonds5

About N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 154801442) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID154801442
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCN(c2cccnc2)C1)c1ccccc1Cn1cncn1
InChIInChI=1S/C19H20N6O/c26-19(18-6-2-1-4-15(18)11-25-14-21-13-22-25)23-16-7-9-24(12-16)17-5-3-8-20-10-17/h1-6,8,10,13-14,16H,7,9,11-12H2,(H,23,26)
InChIKeyHDIWZLUKHIISPA-UHFFFAOYSA-N
XLogP1.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 154801442) is N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(NC1CCN(c2cccnc2)C1)c1ccccc1Cn1cncn1.
What is the InChIKey of N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HDIWZLUKHIISPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(18-6-2-1-4-15(18)11-25-14-21-13-22-25)23-16-7-9-24(12-16)17-5-3-8-20-10-17/h1-6,8,10,13-14,16H,7,9,11-12H2,(H,23,26).
What are the key properties of N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 154801442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).