N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide

C17H22N4OS — CID 75261513

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CC(c2ccccn2)NN1)c1cccs1
InChIInChI=1S/C17H22N4OS/c1-11(2)16(15-7-5-9-23-15)19-17(22)14-10-13(20-21-14)12-6-3-4-8-18-12/h3-9,11,13-14,16,20-21H,10H2,1-2H3,(H,19,22)
InChIKeyRXCZZZIQPADHHM-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.56
Rot. Bonds5

About N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 75261513) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID75261513
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CC(c2ccccn2)NN1)c1cccs1
InChIInChI=1S/C17H22N4OS/c1-11(2)16(15-7-5-9-23-15)19-17(22)14-10-13(20-21-14)12-6-3-4-8-18-12/h3-9,11,13-14,16,20-21H,10H2,1-2H3,(H,19,22)
InChIKeyRXCZZZIQPADHHM-UHFFFAOYSA-N
XLogP2.56
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 95281938
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134127942
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
(2R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]oxolane-2-carboxamide
CID 39968344
(1S,6R)-6-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103710109
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24569521

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 75261513) is N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide is CC(C)C(NC(=O)C1CC(c2ccccn2)NN1)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is RXCZZZIQPADHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11(2)16(15-7-5-9-23-15)19-17(22)14-10-13(20-21-14)12-6-3-4-8-18-12/h3-9,11,13-14,16,20-21H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75261513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).