N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C18H20N6O — CID 75518591

IUPACN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCN(C)c1ncccc1N(C)C(=O)c1ccc(-c2ncn(C)n2)cc1
InChIInChI=1S/C18H20N6O/c1-22(2)17-15(6-5-11-19-17)24(4)18(25)14-9-7-13(8-10-14)16-20-12-23(3)21-16/h5-12H,1-4H3
InChIKeyJPGMNXASTAQVAG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 75518591) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID75518591
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCN(C)c1ncccc1N(C)C(=O)c1ccc(-c2ncn(C)n2)cc1
InChIInChI=1S/C18H20N6O/c1-22(2)17-15(6-5-11-19-17)24(4)18(25)14-9-7-13(8-10-14)16-20-12-23(3)21-16/h5-12H,1-4H3
InChIKeyJPGMNXASTAQVAG-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 75518591) is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is CN(C)c1ncccc1N(C)C(=O)c1ccc(-c2ncn(C)n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is JPGMNXASTAQVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22(2)17-15(6-5-11-19-17)24(4)18(25)14-9-7-13(8-10-14)16-20-12-23(3)21-16/h5-12H,1-4H3.
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 75518591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).