3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile

C19H20N4OS — CID 171993509

IUPAC3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CCC(C(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C19H20N4OS/c20-12-16-17(2-1-7-21-16)22-8-3-14(4-9-22)19(24)23-10-5-18-15(13-23)6-11-25-18/h1-2,6-7,11,14H,3-5,8-10,13H2
InChIKeyRRUNQWLQRFREIV-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.82
Rot. Bonds2

About 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile

3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 171993509) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID171993509
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CCC(C(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C19H20N4OS/c20-12-16-17(2-1-7-21-16)22-8-3-14(4-9-22)19(24)23-10-5-18-15(13-23)6-11-25-18/h1-2,6-7,11,14H,3-5,8-10,13H2
InChIKeyRRUNQWLQRFREIV-UHFFFAOYSA-N
XLogP2.82
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
5-bromo-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171994872
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
CID 171997323
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
CID 172892577
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
CID 171995878
N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-3-carbonitrile
CID 63718760

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 171993509) is 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1ncccc1N1CCC(C(=O)N2CCc3sccc3C2)CC1.
What is the InChIKey of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RRUNQWLQRFREIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-12-16-17(2-1-7-21-16)22-8-3-14(4-9-22)19(24)23-10-5-18-15(13-23)6-11-25-18/h1-2,6-7,11,14H,3-5,8-10,13H2.
What are the key properties of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 352.46 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 171993509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).