3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide

C18H30N4OS — CID 154745727

IUPAC3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCCN2CCc3sccc3C2)C1
InChIInChI=1S/C18H30N4OS/c1-3-21(4-2)16-5-10-22(14-16)18(23)19-8-11-20-9-6-17-15(13-20)7-12-24-17/h7,12,16H,3-6,8-11,13-14H2,1-2H3,(H,19,23)
InChIKeyKFBIFPBISUSACR-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.23
Rot. Bonds6

About 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide

3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 154745727) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID154745727
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCCN2CCc3sccc3C2)C1
InChIInChI=1S/C18H30N4OS/c1-3-21(4-2)16-5-10-22(14-16)18(23)19-8-11-20-9-6-17-15(13-20)7-12-24-17/h7,12,16H,3-6,8-11,13-14H2,1-2H3,(H,19,23)
InChIKeyKFBIFPBISUSACR-UHFFFAOYSA-N
XLogP2.23
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5,5-di-(2-thienyl)-imidazolidin-2-one
CID 16124706
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
1-Cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
CID 9550850
3-(1-Benzyl-piperidin-4-yl)-5,5-di-(2-thienyl)-imidazolidin-2-one
CID 16125374
3-(1-(2-Thienylmethyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125509
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310349
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 42934611
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione
CID 17455234

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide (CID 154745727) is 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)NCCN2CCc3sccc3C2)C1.
What is the InChIKey of 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is KFBIFPBISUSACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-3-21(4-2)16-5-10-22(14-16)18(23)19-8-11-20-9-6-17-15(13-20)7-12-24-17/h7,12,16H,3-6,8-11,13-14H2,1-2H3,(H,19,23).
What are the key properties of 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide?
3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154745727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).