5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide

C18H23N3OS — CID 45201592

IUPAC5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCC(C)CN1CCCC1c1ccc(C(=O)Nc2cccnc2)s1
InChIInChI=1S/C18H23N3OS/c1-13(2)12-21-10-4-6-15(21)16-7-8-17(23-16)18(22)20-14-5-3-9-19-11-14/h3,5,7-9,11,13,15H,4,6,10,12H2,1-2H3,(H,20,22)
InChIKeySCKSUSVTTVNSRX-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.19
Rot. Bonds5

About 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide

5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 45201592) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID45201592
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCC(C)CN1CCCC1c1ccc(C(=O)Nc2cccnc2)s1
InChIInChI=1S/C18H23N3OS/c1-13(2)12-21-10-4-6-15(21)16-7-8-17(23-16)18(22)20-14-5-3-9-19-11-14/h3,5,7-9,11,13,15H,4,6,10,12H2,1-2H3,(H,20,22)
InChIKeySCKSUSVTTVNSRX-UHFFFAOYSA-N
XLogP4.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk2830371
CID 70983932
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11983345
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
4-bromo-5-ethyl-N-(pyridin-3-yl)thiophene-2-carboxamide
CID 1247729
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
5-bromo-N-(pyridin-3-yl)thiophene-2-carboxamide
CID 1244354
5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 10267729
5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182692
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-thiophen-2-ylthiophen-2-yl)methanone
CID 42606219
N-hydroxy-5-(5-(phenethylamino)pyridin-2-yl)thiophene-2-carboxamide
CID 44418127
5-Phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide
CID 44610371

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide (CID 45201592) is 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide is CC(C)CN1CCCC1c1ccc(C(=O)Nc2cccnc2)s1.
What is the InChIKey of 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is SCKSUSVTTVNSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(2)12-21-10-4-6-15(21)16-7-8-17(23-16)18(22)20-14-5-3-9-19-11-14/h3,5,7-9,11,13,15H,4,6,10,12H2,1-2H3,(H,20,22).
What are the key properties of 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide?
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 329.47 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 5-[1-(2-methylpropyl)pyrrolidin-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 45201592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).