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N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide

C20H22N4O — CID 25054177

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1
InChIInChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25)
InChIKeyXCRKJGXQDNWYBH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.72
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide

N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide (PubChem CID 25054177) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
PubChem CID25054177
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1
InChIInChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25)
InChIKeyXCRKJGXQDNWYBH-UHFFFAOYSA-N
XLogP3.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide (CID 25054177) is N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The InChIKey is XCRKJGXQDNWYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide is sourced from PubChem (CID 25054177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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