N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C19H23N3OS — CID 94119525

IUPACN-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1
InChIInChI=1S/C19H23N3OS/c23-19(22-10-7-18-16(14-22)8-11-24-18)20-12-15-6-9-21(13-15)17-4-2-1-3-5-17/h1-5,8,11,15H,6-7,9-10,12-14H2,(H,20,23)/t15-/m1/s1
InChIKeyNRRVBMXUPADFJZ-OAHLLOKOSA-N
MW341.48 g/mol
LogP3.34
Rot. Bonds3

About N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 94119525) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID94119525
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1
InChIInChI=1S/C19H23N3OS/c23-19(22-10-7-18-16(14-22)8-11-24-18)20-12-15-6-9-21(13-15)17-4-2-1-3-5-17/h1-5,8,11,15H,6-7,9-10,12-14H2,(H,20,23)/t15-/m1/s1
InChIKeyNRRVBMXUPADFJZ-OAHLLOKOSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94572472
N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94124241
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910381
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909177
4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
CID 55809651
(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
CID 98786419
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 94119525) is N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1.
What is the InChIKey of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is NRRVBMXUPADFJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(22-10-7-18-16(14-22)8-11-24-18)20-12-15-6-9-21(13-15)17-4-2-1-3-5-17/h1-5,8,11,15H,6-7,9-10,12-14H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 94119525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).