3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide

C18H25N5O — CID 146153291

IUPAC3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide
SMILESCc1cc(-c2cn(CCNC(=O)CCC3CCCC3)nn2)ccn1
InChIInChI=1S/C18H25N5O/c1-14-12-16(8-9-19-14)17-13-23(22-21-17)11-10-20-18(24)7-6-15-4-2-3-5-15/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,20,24)
InChIKeySEULBWLJTKYRJT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.74
Rot. Bonds7

About 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide

3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide (PubChem CID 146153291) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide
PubChem CID146153291
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide
SMILESCc1cc(-c2cn(CCNC(=O)CCC3CCCC3)nn2)ccn1
InChIInChI=1S/C18H25N5O/c1-14-12-16(8-9-19-14)17-13-23(22-21-17)11-10-20-18(24)7-6-15-4-2-3-5-15/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,20,24)
InChIKeySEULBWLJTKYRJT-UHFFFAOYSA-N
XLogP2.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[3-[4-(2-methyl-4-pyridinyl)triazol-1-yl]propyl]oxetane-2-carboxamide
CID 146153257
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 106752673
3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541528
N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
CID 167773057
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108539833
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508348
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
CID 121079010

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide (CID 146153291) is 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide is Cc1cc(-c2cn(CCNC(=O)CCC3CCCC3)nn2)ccn1.
What is the InChIKey of 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide?
The InChIKey is SEULBWLJTKYRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-12-16(8-9-19-14)17-13-23(22-21-17)11-10-20-18(24)7-6-15-4-2-3-5-15/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,20,24).
What are the key properties of 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide?
3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 146153291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).