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

C17H21N3OS — CID 19093918

IUPACN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide
SMILESCC1Cc2ccsc2C(C)N1CCNC(=O)c1ccncc1
InChIInChI=1S/C17H21N3OS/c1-12-11-15-5-10-22-16(15)13(2)20(12)9-8-19-17(21)14-3-6-18-7-4-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21)
InChIKeyKXCBGWCNXJDQLQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.88
Rot. Bonds4

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

N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide (PubChem CID 19093918) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide
PubChem CID19093918
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide
SMILESCC1Cc2ccsc2C(C)N1CCNC(=O)c1ccncc1
InChIInChI=1S/C17H21N3OS/c1-12-11-15-5-10-22-16(15)13(2)20(12)9-8-19-17(21)14-3-6-18-7-4-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21)
InChIKeyKXCBGWCNXJDQLQ-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
CID 54294089
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 19093816
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide
CID 19093840
4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
CID 54527661
N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-4-(methanesulfonamido)benzamide
CID 54241097
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide
CID 19093987
N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride
CID 67850700
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide
CID 19093993
N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-2-nitrobenzamide
CID 54234122
N-[2-[(5R,7R)-5-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-4-nitrobenzamide;hydrochloride
CID 67851068
N-[2-[7-(4-chlorophenyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-4-nitrobenzamide;hydrochloride
CID 19093856
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide (CID 19093918) is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide is CC1Cc2ccsc2C(C)N1CCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is KXCBGWCNXJDQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-11-15-5-10-22-16(15)13(2)20(12)9-8-19-17(21)14-3-6-18-7-4-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide?
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 19093918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).