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

C20H22N6O — CID 70936560

IUPAC4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(CN(C)C)cc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C20H22N6O/c1-13-11-15(12-26(3)4)8-9-16(13)19(27)25-20-23-14(2)22-18(24-20)17-7-5-6-10-21-17/h5-11H,12H2,1-4H3,(H,22,23,24,25,27)
InChIKeyAJKGSXHDDFRXPK-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.86
Rot. Bonds5

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

4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 70936560) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID70936560
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(CN(C)C)cc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C20H22N6O/c1-13-11-15(12-26(3)4)8-9-16(13)19(27)25-20-23-14(2)22-18(24-20)17-7-5-6-10-21-17/h5-11H,12H2,1-4H3,(H,22,23,24,25,27)
InChIKeyAJKGSXHDDFRXPK-UHFFFAOYSA-N
XLogP2.86
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (CID 70936560) is 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(CN(C)C)cc2C)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is AJKGSXHDDFRXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-11-15(12-26(3)4)8-9-16(13)19(27)25-20-23-14(2)22-18(24-20)17-7-5-6-10-21-17/h5-11H,12H2,1-4H3,(H,22,23,24,25,27).
What are the key properties of 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 362.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 70936560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).