2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C14H20N6O — CID 91780682

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1nncn1C)Cc1cccnc1
InChIInChI=1S/C14H20N6O/c1-19(9-12-4-3-6-15-8-12)10-14(21)16-7-5-13-18-17-11-20(13)2/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,16,21)
InChIKeyKEUOJESDNBFCLB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.00
Rot. Bonds7

About 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 91780682) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID91780682
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1nncn1C)Cc1cccnc1
InChIInChI=1S/C14H20N6O/c1-19(9-12-4-3-6-15-8-12)10-14(21)16-7-5-13-18-17-11-20(13)2/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,16,21)
InChIKeyKEUOJESDNBFCLB-UHFFFAOYSA-N
XLogP0.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 136607663
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
CID 131897637
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 124941960
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 22196628
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 81241199
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 91762097
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 91780682) is 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CN(CC(=O)NCCc1nncn1C)Cc1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is KEUOJESDNBFCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19(9-12-4-3-6-15-8-12)10-14(21)16-7-5-13-18-17-11-20(13)2/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,16,21).
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 91780682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).