N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C20H22N4O2 — CID 99816905

IUPACN-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1ccc(CN(C(=O)Cn2nc3ccccn3c2=O)C2CC2)cc1C
InChIInChI=1S/C20H22N4O2/c1-14-6-7-16(11-15(14)2)12-23(17-8-9-17)19(25)13-24-20(26)22-10-4-3-5-18(22)21-24/h3-7,10-11,17H,8-9,12-13H2,1-2H3
InChIKeyFURYBDPCVVHSSL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.30
Rot. Bonds5

About N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 99816905) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID99816905
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1ccc(CN(C(=O)Cn2nc3ccccn3c2=O)C2CC2)cc1C
InChIInChI=1S/C20H22N4O2/c1-14-6-7-16(11-15(14)2)12-23(17-8-9-17)19(25)13-24-20(26)22-10-4-3-5-18(22)21-24/h3-7,10-11,17H,8-9,12-13H2,1-2H3
InChIKeyFURYBDPCVVHSSL-UHFFFAOYSA-N
XLogP2.30
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 99816905) is N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is Cc1ccc(CN(C(=O)Cn2nc3ccccn3c2=O)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is FURYBDPCVVHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-7-16(11-15(14)2)12-23(17-8-9-17)19(25)13-24-20(26)22-10-4-3-5-18(22)21-24/h3-7,10-11,17H,8-9,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 99816905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).