N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide

C14H19N5O — CID 62757049

IUPACN-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2cn(C)nn2)c1
InChIInChI=1S/C14H19N5O/c1-4-15-14(20)11-6-5-10(2)13(7-11)16-8-12-9-19(3)18-17-12/h5-7,9,16H,4,8H2,1-3H3,(H,15,20)
InChIKeyRWOCFPQKUNGBGF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.49
Rot. Bonds5

About N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide

N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide (PubChem CID 62757049) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
PubChem CID62757049
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2cn(C)nn2)c1
InChIInChI=1S/C14H19N5O/c1-4-15-14(20)11-6-5-10(2)13(7-11)16-8-12-9-19(3)18-17-12/h5-7,9,16H,4,8H2,1-3H3,(H,15,20)
InChIKeyRWOCFPQKUNGBGF-UHFFFAOYSA-N
XLogP1.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62748907
3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide
CID 136568853
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66270751
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166358840

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The IUPAC name of N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide (CID 62757049) is N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide is CCNC(=O)c1ccc(C)c(NCc2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The InChIKey is RWOCFPQKUNGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-15-14(20)11-6-5-10(2)13(7-11)16-8-12-9-19(3)18-17-12/h5-7,9,16H,4,8H2,1-3H3,(H,15,20).
What are the key properties of N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62757049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).