2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide

C14H18N6O2 — CID 112522212

IUPAC2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)NCc2cccnc2)nn1
InChIInChI=1S/C14H18N6O2/c1-10(2)14(22)17-12-8-20(19-18-12)9-13(21)16-7-11-4-3-5-15-6-11/h3-6,8,10H,7,9H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyFAPBNCIHTXTBDQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.58
Rot. Bonds6

About 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide

2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide (PubChem CID 112522212) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
PubChem CID112522212
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)NCc2cccnc2)nn1
InChIInChI=1S/C14H18N6O2/c1-10(2)14(22)17-12-8-20(19-18-12)9-13(21)16-7-11-4-3-5-15-6-11/h3-6,8,10H,7,9H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyFAPBNCIHTXTBDQ-UHFFFAOYSA-N
XLogP0.58
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
CID 113042074
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 112530359
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide (CID 112522212) is 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide is CC(C)C(=O)Nc1cn(CC(=O)NCc2cccnc2)nn1.
What is the InChIKey of 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide?
The InChIKey is FAPBNCIHTXTBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10(2)14(22)17-12-8-20(19-18-12)9-13(21)16-7-11-4-3-5-15-6-11/h3-6,8,10H,7,9H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide?
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide has a molecular weight of 302.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112522212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).