N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide

C17H15FN6O — CID 122540403

IUPACN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1
InChIInChI=1S/C17H15FN6O/c1-23(2)9-17(25)22-13-6-15(24-16(7-13)20-10-21-24)11-3-4-12(8-19)14(18)5-11/h3-7,10H,9H2,1-2H3,(H,22,25)
InChIKeyPCJZGCNAUIEGIR-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.91
Rot. Bonds4

About N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide (PubChem CID 122540403) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
PubChem CID122540403
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1
InChIInChI=1S/C17H15FN6O/c1-23(2)9-17(25)22-13-6-15(24-16(7-13)20-10-21-24)11-3-4-12(8-19)14(18)5-11/h3-7,10H,9H2,1-2H3,(H,22,25)
InChIKeyPCJZGCNAUIEGIR-UHFFFAOYSA-N
XLogP1.91
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
CID 122540282
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
CID 122540738
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
CID 122540762
oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 122540679
N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
2-fluoro-4-[7-[(3-phenyloxetan-3-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540420
N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875
tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 140850306
4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 159107801
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
5-(4-cyanophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 122540294
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 99789948

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide (CID 122540403) is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1.
What is the InChIKey of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide?
The InChIKey is PCJZGCNAUIEGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-23(2)9-17(25)22-13-6-15(24-16(7-13)20-10-21-24)11-3-4-12(8-19)14(18)5-11/h3-7,10H,9H2,1-2H3,(H,22,25).
What are the key properties of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide?
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide has a molecular weight of 338.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 122540403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).