2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

C19H22N4O2 — CID 51117632

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2nnc3ccccn23)ccc1C(C)C
InChIInChI=1S/C19H22N4O2/c1-12(2)16-9-8-15(11-13(16)3)25-14(4)18(24)20-19-22-21-17-7-5-6-10-23(17)19/h5-12,14H,1-4H3,(H,20,22,24)
InChIKeyFWPPSUXSNPTFHI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (PubChem CID 51117632) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
PubChem CID51117632
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2nnc3ccccn23)ccc1C(C)C
InChIInChI=1S/C19H22N4O2/c1-12(2)16-9-8-15(11-13(16)3)25-14(4)18(24)20-19-22-21-17-7-5-6-10-23(17)19/h5-12,14H,1-4H3,(H,20,22,24)
InChIKeyFWPPSUXSNPTFHI-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide with MolForge

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Related Compounds

2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 171910069
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
(2S)-2-benzylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 51958568
N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55775098
N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119516475
2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 74056235
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (CID 51117632) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is Cc1cc(OC(C)C(=O)Nc2nnc3ccccn23)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The InChIKey is FWPPSUXSNPTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)16-9-8-15(11-13(16)3)25-14(4)18(24)20-19-22-21-17-7-5-6-10-23(17)19/h5-12,14H,1-4H3,(H,20,22,24).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 51117632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).