N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide

C19H21N3OS — CID 56708358

IUPACN-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCN(Cc2cc3ccccc3[nH]2)C1)c1ccsc1
InChIInChI=1S/C19H21N3OS/c23-19(16-6-8-24-13-16)20-10-14-5-7-22(11-14)12-17-9-15-3-1-2-4-18(15)21-17/h1-4,6,8-9,13-14,21H,5,7,10-12H2,(H,20,23)
InChIKeyUEMRLNVNFSJFOV-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.48
Rot. Bonds5

About N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide

N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide (PubChem CID 56708358) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
PubChem CID56708358
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCN(Cc2cc3ccccc3[nH]2)C1)c1ccsc1
InChIInChI=1S/C19H21N3OS/c23-19(16-6-8-24-13-16)20-10-14-5-7-22(11-14)12-17-9-15-3-1-2-4-18(15)21-17/h1-4,6,8-9,13-14,21H,5,7,10-12H2,(H,20,23)
InChIKeyUEMRLNVNFSJFOV-UHFFFAOYSA-N
XLogP3.48
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
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N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
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3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
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N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
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1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 95207398
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide (CID 56708358) is N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide is O=C(NCC1CCN(Cc2cc3ccccc3[nH]2)C1)c1ccsc1.
What is the InChIKey of N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
The InChIKey is UEMRLNVNFSJFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-19(16-6-8-24-13-16)20-10-14-5-7-22(11-14)12-17-9-15-3-1-2-4-18(15)21-17/h1-4,6,8-9,13-14,21H,5,7,10-12H2,(H,20,23).
What are the key properties of N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide?
N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 56708358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).