2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C19H21ClN4O2S — CID 16806305

IUPAC2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C19H20N4O2S.ClH/c1-11(2)23-8-7-14-15(10-23)26-19(16(14)17(21)24)22-18(25)13-5-3-12(9-20)4-6-13;/h3-6,11H,7-8,10H2,1-2H3,(H2,21,24)(H,22,25);1H
InChIKeyOCMOYJJKJSAGCX-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.16
Rot. Bonds4

About 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806305) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806305
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C19H20N4O2S.ClH/c1-11(2)23-8-7-14-15(10-23)26-19(16(14)17(21)24)22-18(25)13-5-3-12(9-20)4-6-13;/h3-6,11H,7-8,10H2,1-2H3,(H2,21,24)(H,22,25);1H
InChIKeyOCMOYJJKJSAGCX-UHFFFAOYSA-N
XLogP3.16
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-[(4-benzoylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4520692
2-[(4-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 44987638
2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806318
2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806277
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
CID 3714895
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428
ethyl 2-[(4-cyanobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973280
methyl 2-[(4-bromobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 71778286
2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7578887
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
methyl 2-[(4-cyanobenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7588954

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806305) is 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CC(C)N1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is OCMOYJJKJSAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.ClH/c1-11(2)23-8-7-14-15(10-23)26-19(16(14)17(21)24)22-18(25)13-5-3-12(9-20)4-6-13;/h3-6,11H,7-8,10H2,1-2H3,(H2,21,24)(H,22,25);1H.
What are the key properties of 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).