N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide

C17H17N5O — CID 75392582

IUPACN-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide
SMILESCCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1cccnc1
InChIInChI=1S/C17H17N5O/c1-2-11-21(16-4-3-9-18-13-16)17(23)14-5-7-15(8-6-14)22-12-10-19-20-22/h3-10,12-13H,2,11H2,1H3
InChIKeyCDSWFWFUWPEONG-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.72
Rot. Bonds5

About N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide

N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide (PubChem CID 75392582) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide
PubChem CID75392582
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide
SMILESCCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1cccnc1
InChIInChI=1S/C17H17N5O/c1-2-11-21(16-4-3-9-18-13-16)17(23)14-5-7-15(8-6-14)22-12-10-19-20-22/h3-10,12-13H,2,11H2,1H3
InChIKeyCDSWFWFUWPEONG-UHFFFAOYSA-N
XLogP2.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide?
The IUPAC name of N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide (CID 75392582) is N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide is CCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1cccnc1.
What is the InChIKey of N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide?
The InChIKey is CDSWFWFUWPEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-11-21(16-4-3-9-18-13-16)17(23)14-5-7-15(8-6-14)22-12-10-19-20-22/h3-10,12-13H,2,11H2,1H3.
What are the key properties of N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide?
N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyridin-3-yl-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 75392582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).