N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C18H29N3O2S — CID 24962371

IUPACN-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sc(OCCCN3CCCC3)cc2C1
InChIInChI=1S/C18H29N3O2S/c1-14(2)19-18(22)21-10-6-16-15(13-21)12-17(24-16)23-11-5-9-20-7-3-4-8-20/h12,14H,3-11,13H2,1-2H3,(H,19,22)
InChIKeyUQKZCFCHUPTDFT-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.09
Rot. Bonds6

About N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 24962371) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID24962371
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sc(OCCCN3CCCC3)cc2C1
InChIInChI=1S/C18H29N3O2S/c1-14(2)19-18(22)21-10-6-16-15(13-21)12-17(24-16)23-11-5-9-20-7-3-4-8-20/h12,14H,3-11,13H2,1-2H3,(H,19,22)
InChIKeyUQKZCFCHUPTDFT-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-piperidin-1-ylpropoxy)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24960541
1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
CID 24962736
5-methylsulfonyl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 67026187
3,3-dimethyl-4-[2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]butanal
CID 87455027
6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 24947409
6-(4-ethylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 24947596
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
CID 118203485
1-[3-methyl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
CID 24962009
5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158992
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 155551908

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 24962371) is N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2sc(OCCCN3CCCC3)cc2C1.
What is the InChIKey of N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is UQKZCFCHUPTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-14(2)19-18(22)21-10-6-16-15(13-21)12-17(24-16)23-11-5-9-20-7-3-4-8-20/h12,14H,3-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(3-pyrrolidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 24962371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).