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

C15H14N6O — CID 70814491

IUPAC1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cccn2C)nc(-c2ccccn2)n1
InChIInChI=1S/C15H14N6O/c1-10-17-13(11-6-3-4-8-16-11)19-15(18-10)20-14(22)12-7-5-9-21(12)2/h3-9H,1-2H3,(H,17,18,19,20,22)
InChIKeyLJVACJOPNSJJRB-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.83
Rot. Bonds3

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

1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide (PubChem CID 70814491) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
PubChem CID70814491
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cccn2C)nc(-c2ccccn2)n1
InChIInChI=1S/C15H14N6O/c1-10-17-13(11-6-3-4-8-16-11)19-15(18-10)20-14(22)12-7-5-9-21(12)2/h3-9H,1-2H3,(H,17,18,19,20,22)
InChIKeyLJVACJOPNSJJRB-UHFFFAOYSA-N
XLogP1.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide (CID 70814491) is 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide is Cc1nc(NC(=O)c2cccn2C)nc(-c2ccccn2)n1.
What is the InChIKey of 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide?
The InChIKey is LJVACJOPNSJJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-10-17-13(11-6-3-4-8-16-11)19-15(18-10)20-14(22)12-7-5-9-21(12)2/h3-9H,1-2H3,(H,17,18,19,20,22).
What are the key properties of 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide?
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 70814491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).