6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C16H15Cl2N3S — CID 167297921

IUPAC6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CCN(Cc1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C16H15Cl2N3S/c1-20-16-13(7-19)12-4-5-21(9-15(12)22-16)8-10-6-11(17)2-3-14(10)18/h2-3,6,20H,4-5,8-9H2,1H3
InChIKeyQXPQZJGNMFZJOW-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.53
Rot. Bonds3

About 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 167297921) has the molecular formula C16H15Cl2N3S and a molecular weight of 352.29 g/mol. Its IUPAC name is 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID167297921
Molecular FormulaC16H15Cl2N3S
Molecular Weight352.29 g/mol
Exact Mass351.04
IUPAC Name6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCNc1sc2c(c1C#N)CCN(Cc1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C16H15Cl2N3S/c1-20-16-13(7-19)12-4-5-21(9-15(12)22-16)8-10-6-11(17)2-3-14(10)18/h2-3,6,20H,4-5,8-9H2,1H3
InChIKeyQXPQZJGNMFZJOW-UHFFFAOYSA-N
XLogP4.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[(3-fluorophenyl)methyl]-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 146285658
6-[(3,4-difluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 167297802
6-[(2-fluorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 167298081
(E)-N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)acrylamide
CID 6003265
2-amino-6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 93790204
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dichlorobenzamide
CID 4421821
N-[(4-chlorophenyl)methyl]-2-cyano-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide
CID 10134090
2-[4-[(E)-3-(3-Chlorophenyl)prop-2-enylidene]-1-piperidyl]thiophene-3-carbonitrile
CID 46870613
(Z)-3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)prop-2-enamide
CID 68609161
N-(3-cyano-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)-3-(2-chloro-phenyl)-acrylamide
CID 68609167
2-[4-[3-(3-Chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile
CID 75238368
2-[(4-Chlorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732497

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 167297921) is 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is CNc1sc2c(c1C#N)CCN(Cc1cc(Cl)ccc1Cl)C2.
What is the InChIKey of 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is QXPQZJGNMFZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3S/c1-20-16-13(7-19)12-4-5-21(9-15(12)22-16)8-10-6-11(17)2-3-14(10)18/h2-3,6,20H,4-5,8-9H2,1H3.
What are the key properties of 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 352.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dichlorophenyl)methyl]-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 167297921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).