3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide

C23H18ClN3O2S — CID 1007127

IUPAC3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
SMILESCc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H18ClN3O2S/c1-12-17(22(29)27-16-6-4-3-5-7-16)13(2)26-23-18(12)19(25)21(30-23)20(28)14-8-10-15(24)11-9-14/h3-11H,25H2,1-2H3,(H,27,29)
InChIKeyYFLSLPKXRIINGI-UHFFFAOYSA-N
MW435.94 g/mol
LogP5.63
Rot. Bonds4

About 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide

3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide (PubChem CID 1007127) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
PubChem CID1007127
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC Name3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
SMILESCc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H18ClN3O2S/c1-12-17(22(29)27-16-6-4-3-5-7-16)13(2)26-23-18(12)19(25)21(30-23)20(28)14-8-10-15(24)11-9-14/h3-11H,25H2,1-2H3,(H,27,29)
InChIKeyYFLSLPKXRIINGI-UHFFFAOYSA-N
XLogP5.63
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
2-[3-amino-2-(4-chlorobenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-5-yl]-1-(4-bromophenyl)ethanone
CID 23856806
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059135
N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 16762602
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
ethyl 3-amino-2-(4-chlorobenzoyl)-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 11443302
2-(3-amino-2-benzoyl-4,6-dimethylthieno[2,3-b]pyridin-5-yl)-1-(4-bromophenyl)ethanone
CID 4265083
1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 171136616
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide (CID 1007127) is 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide is Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(C)c1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is YFLSLPKXRIINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-12-17(22(29)27-16-6-4-3-5-7-16)13(2)26-23-18(12)19(25)21(30-23)20(28)14-8-10-15(24)11-9-14/h3-11H,25H2,1-2H3,(H,27,29).
What are the key properties of 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide?
3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 435.94 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 1007127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).