N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide

C16H13N5O — CID 58849719

IUPACN-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H13N5O/c1-11-18-14(12-7-9-17-10-8-12)20-16(19-11)21-15(22)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20,21,22)
InChIKeySZCPHHLAOYYECU-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.49
Rot. Bonds3

About N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide

N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 58849719) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID58849719
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H13N5O/c1-11-18-14(12-7-9-17-10-8-12)20-16(19-11)21-15(22)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20,21,22)
InChIKeySZCPHHLAOYYECU-UHFFFAOYSA-N
XLogP2.49
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide (CID 58849719) is N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide is Cc1nc(NC(=O)c2ccccc2)nc(-c2ccncc2)n1.
What is the InChIKey of N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is SZCPHHLAOYYECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11-18-14(12-7-9-17-10-8-12)20-16(19-11)21-15(22)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20,21,22).
What are the key properties of N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide?
N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 291.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 58849719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).