3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide

C20H26N4O — CID 91889034

IUPAC3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C20H26N4O/c25-19(13-8-15-5-1-2-6-15)21-17-11-9-16(10-12-17)20-23-22-18-7-3-4-14-24(18)20/h9-12,15H,1-8,13-14H2,(H,21,25)
InChIKeyACBBERAIOMRUDI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.19
Rot. Bonds5

About 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide

3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide (PubChem CID 91889034) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide
PubChem CID91889034
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C20H26N4O/c25-19(13-8-15-5-1-2-6-15)21-17-11-9-16(10-12-17)20-23-22-18-7-3-4-14-24(18)20/h9-12,15H,1-8,13-14H2,(H,21,25)
InChIKeyACBBERAIOMRUDI-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)cyclopentanecarboxamide
CID 7217816
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
CID 7217821
N-(4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2-cyclohexylacetamide
CID 7532286
2,2-dimethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 8502902
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345862
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
3-[4-cyclopropyl-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346230
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 2999304
3-((4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl)imino)indolin-2-one
CID 135415471
3,3-dimethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide
CID 2086049
N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]hexanamide
CID 8502910
3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 127032960

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide (CID 91889034) is 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide is O=C(CCC1CCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1.
What is the InChIKey of 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
The InChIKey is ACBBERAIOMRUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-19(13-8-15-5-1-2-6-15)21-17-11-9-16(10-12-17)20-23-22-18-7-3-4-14-24(18)20/h9-12,15H,1-8,13-14H2,(H,21,25).
What are the key properties of 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide is sourced from PubChem (CID 91889034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).