2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide

C16H18N8O — CID 131932550

IUPAC2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide
SMILESCc1nc(N(C)C)ncc1-c1nc(CC(N)=O)nn1-c1ccncc1
InChIInChI=1S/C16H18N8O/c1-10-12(9-19-16(20-10)23(2)3)15-21-14(8-13(17)25)22-24(15)11-4-6-18-7-5-11/h4-7,9H,8H2,1-3H3,(H2,17,25)
InChIKeyHBRBURDSBMSZFW-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.52
Rot. Bonds5

About 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide

2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide (PubChem CID 131932550) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide
PubChem CID131932550
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide
SMILESCc1nc(N(C)C)ncc1-c1nc(CC(N)=O)nn1-c1ccncc1
InChIInChI=1S/C16H18N8O/c1-10-12(9-19-16(20-10)23(2)3)15-21-14(8-13(17)25)22-24(15)11-4-6-18-7-5-11/h4-7,9H,8H2,1-3H3,(H2,17,25)
InChIKeyHBRBURDSBMSZFW-UHFFFAOYSA-N
XLogP0.52
TPSA115.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide
CID 25138085
2-[5,7-Dimethyl-2-(pyridin-3-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50750207
4-[2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10,12-pentaen-6-one
CID 138857396
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938
2,5,7-Trimethyl-6-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3242799
N-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253399
N-[3-[4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide
CID 9604928
N-[3-[4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]butanamide
CID 9604929

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide (CID 131932550) is 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide is Cc1nc(N(C)C)ncc1-c1nc(CC(N)=O)nn1-c1ccncc1.
What is the InChIKey of 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HBRBURDSBMSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-10-12(9-19-16(20-10)23(2)3)15-21-14(8-13(17)25)22-24(15)11-4-6-18-7-5-11/h4-7,9H,8H2,1-3H3,(H2,17,25).
What are the key properties of 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide?
2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 338.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131932550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).