N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide

C22H29N5O2 — CID 172880485

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCC3CC(=O)N(C4CCCC4)C3)c2C)c1C
InChIInChI=1S/C22H29N5O2/c1-14-7-6-10-19(15(14)2)27-16(3)21(24-25-27)22(29)23-12-17-11-20(28)26(13-17)18-8-4-5-9-18/h6-7,10,17-18H,4-5,8-9,11-13H2,1-3H3,(H,23,29)
InChIKeyVCOPPKVFMFWUAL-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.71
Rot. Bonds5

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 172880485) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID172880485
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCC3CC(=O)N(C4CCCC4)C3)c2C)c1C
InChIInChI=1S/C22H29N5O2/c1-14-7-6-10-19(15(14)2)27-16(3)21(24-25-27)22(29)23-12-17-11-20(28)26(13-17)18-8-4-5-9-18/h6-7,10,17-18H,4-5,8-9,11-13H2,1-3H3,(H,23,29)
InChIKeyVCOPPKVFMFWUAL-UHFFFAOYSA-N
XLogP2.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 172906677
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea
CID 75500636
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 131930862
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
CID 126435573
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 95550589
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126427045
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95712406

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 172880485) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCC3CC(=O)N(C4CCCC4)C3)c2C)c1C.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is VCOPPKVFMFWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-7-6-10-19(15(14)2)27-16(3)21(24-25-27)22(29)23-12-17-11-20(28)26(13-17)18-8-4-5-9-18/h6-7,10,17-18H,4-5,8-9,11-13H2,1-3H3,(H,23,29).
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 172880485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).