6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide

C18H14ClN3O2S — CID 3577538

IUPAC6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)C(C#N)=C(N)O1
InChIInChI=1S/C18H14ClN3O2S/c1-10-15(18(23)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13(9-20)17(21)24-10/h2-8,16H,21H2,1H3,(H,22,23)
InChIKeyWCYVIAFZZCTIQM-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.12
Rot. Bonds3

About 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide

6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide (PubChem CID 3577538) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
PubChem CID3577538
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)C(C#N)=C(N)O1
InChIInChI=1S/C18H14ClN3O2S/c1-10-15(18(23)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13(9-20)17(21)24-10/h2-8,16H,21H2,1H3,(H,22,23)
InChIKeyWCYVIAFZZCTIQM-UHFFFAOYSA-N
XLogP4.12
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 679385
6-amino-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 3346478
ethyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 682852
prop-2-enyl 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 4518786
(4S)-6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 1391291
(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide
CID 8610939
6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 59319564
6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 23908247
ethyl (4S)-6-amino-5-cyano-2-propyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 754388
ethyl 6-amino-5-cyano-2-(4-methoxyphenyl)-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 3154897
6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2835601
(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 1396967

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide?
The IUPAC name of 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide (CID 3577538) is 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)C(C#N)=C(N)O1.
What is the InChIKey of 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide?
The InChIKey is WCYVIAFZZCTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-10-15(18(23)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13(9-20)17(21)24-10/h2-8,16H,21H2,1H3,(H,22,23).
What are the key properties of 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide?
6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide is sourced from PubChem (CID 3577538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).