5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C16H17N3OS — CID 53171080

IUPAC5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)CN(C1CC1)C2
InChIInChI=1S/C16H17N3OS/c20-16(18-8-11-2-1-5-17-7-11)14-6-12-9-19(13-3-4-13)10-15(12)21-14/h1-2,5-7,13H,3-4,8-10H2,(H,18,20)
InChIKeyWXSYAIFCBQAOID-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.55
Rot. Bonds4

About 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171080) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171080
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)CN(C1CC1)C2
InChIInChI=1S/C16H17N3OS/c20-16(18-8-11-2-1-5-17-7-11)14-6-12-9-19(13-3-4-13)10-15(12)21-14/h1-2,5-7,13H,3-4,8-10H2,(H,18,20)
InChIKeyWXSYAIFCBQAOID-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 9467826
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 90764881
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275521
N-(2-pyridin-3-ylethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 39560992
1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31042688
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171080) is 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is O=C(NCc1cccnc1)c1cc2c(s1)CN(C1CC1)C2.
What is the InChIKey of 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is WXSYAIFCBQAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(18-8-11-2-1-5-17-7-11)14-6-12-9-19(13-3-4-13)10-15(12)21-14/h1-2,5-7,13H,3-4,8-10H2,(H,18,20).
What are the key properties of 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).