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

C23H21N7O — CID 70814398

IUPAC6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(NCc3ccccc3)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C23H21N7O/c1-15-18(11-12-20(26-15)25-14-17-8-4-3-5-9-17)22(31)30-23-28-16(2)27-21(29-23)19-10-6-7-13-24-19/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28,29,30,31)
InChIKeyWADDHJSUYOOMTD-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.81
Rot. Bonds6

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

6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (PubChem CID 70814398) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
PubChem CID70814398
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(NCc3ccccc3)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C23H21N7O/c1-15-18(11-12-20(26-15)25-14-17-8-4-3-5-9-17)22(31)30-23-28-16(2)27-21(29-23)19-10-6-7-13-24-19/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28,29,30,31)
InChIKeyWADDHJSUYOOMTD-UHFFFAOYSA-N
XLogP3.81
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (CID 70814398) is 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(NCc3ccccc3)nc2C)nc(-c2ccccn2)n1.
What is the InChIKey of 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The InChIKey is WADDHJSUYOOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-15-18(11-12-20(26-15)25-14-17-8-4-3-5-9-17)22(31)30-23-28-16(2)27-21(29-23)19-10-6-7-13-24-19/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28,29,30,31).
What are the key properties of 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 70814398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).