5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide

C17H12Cl2N4OS — CID 70864998

IUPAC5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
SMILESN#Cc1c(C2C=CN=C(N)C2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N4OS/c18-9-1-2-10(12(19)6-9)14-11(7-20)15(25-16(14)17(22)24)8-3-4-23-13(21)5-8/h1-4,6,8H,5H2,(H2,21,23)(H2,22,24)
InChIKeySJNPORVQJBXPCL-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.05
Rot. Bonds3

About 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide

5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide (PubChem CID 70864998) has the molecular formula C17H12Cl2N4OS and a molecular weight of 391.28 g/mol. Its IUPAC name is 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
PubChem CID70864998
Molecular FormulaC17H12Cl2N4OS
Molecular Weight391.28 g/mol
Exact Mass390.01
IUPAC Name5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
SMILESN#Cc1c(C2C=CN=C(N)C2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N4OS/c18-9-1-2-10(12(19)6-9)14-11(7-20)15(25-16(14)17(22)24)8-3-4-23-13(21)5-8/h1-4,6,8H,5H2,(H2,21,23)(H2,22,24)
InChIKeySJNPORVQJBXPCL-UHFFFAOYSA-N
XLogP4.05
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide (CID 70864998) is 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide is N#Cc1c(C2C=CN=C(N)C2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
The InChIKey is SJNPORVQJBXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4OS/c18-9-1-2-10(12(19)6-9)14-11(7-20)15(25-16(14)17(22)24)8-3-4-23-13(21)5-8/h1-4,6,8H,5H2,(H2,21,23)(H2,22,24).
What are the key properties of 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide has a molecular weight of 391.28 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 70864998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).