3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H22N4O2 — CID 51103013

IUPAC3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC(C)c3cccc(OC(C)C)c3)cn12
InChIInChI=1S/C19H22N4O2/c1-12(2)25-17-7-5-6-15(10-17)13(3)20-19(24)16-8-9-18-22-21-14(4)23(18)11-16/h5-13H,1-4H3,(H,20,24)
InChIKeyGKLSKHBIUSPPML-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.32
Rot. Bonds5

About 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 51103013) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID51103013
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC(C)c3cccc(OC(C)C)c3)cn12
InChIInChI=1S/C19H22N4O2/c1-12(2)25-17-7-5-6-15(10-17)13(3)20-19(24)16-8-9-18-22-21-14(4)23(18)11-16/h5-13H,1-4H3,(H,20,24)
InChIKeyGKLSKHBIUSPPML-UHFFFAOYSA-N
XLogP3.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 47262615
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51966121
4-methylsulfanyl-3-nitro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 112826642
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55713773

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 51103013) is 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)NC(C)c3cccc(OC(C)C)c3)cn12.
What is the InChIKey of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GKLSKHBIUSPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)25-17-7-5-6-15(10-17)13(3)20-19(24)16-8-9-18-22-21-14(4)23(18)11-16/h5-13H,1-4H3,(H,20,24).
What are the key properties of 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 51103013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).