N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide

C15H16N4OS — CID 43638963

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C15H16N4OS/c1-2-19-7-3-4-12(19)14(20)18-15-11(8-16)10-5-6-17-9-13(10)21-15/h3-4,7,17H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyWXRAMUXTPAVODJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.34
Rot. Bonds3

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43638963) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID43638963
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C15H16N4OS/c1-2-19-7-3-4-12(19)14(20)18-15-11(8-16)10-5-6-17-9-13(10)21-15/h3-4,7,17H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyWXRAMUXTPAVODJ-UHFFFAOYSA-N
XLogP2.34
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide
CID 79003916
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
(3S)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636774
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636771
5-bromo-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 43430842
(3S)-3-(2-chloro-3-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)butanamide
CID 68636696
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 43430849

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide (CID 43638963) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1sc2c(c1C#N)CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is WXRAMUXTPAVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-19-7-3-4-12(19)14(20)18-15-11(8-16)10-5-6-17-9-13(10)21-15/h3-4,7,17H,2,5-6,9H2,1H3,(H,18,20).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43638963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).