3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

C25H23N3O2S — CID 23832664

IUPAC3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)sc2n1
InChIInChI=1S/C25H23N3O2S/c1-15(2)14-19-12-13-20-21(26)23(31-25(20)28-19)24(30)27-18-10-8-17(9-11-18)22(29)16-6-4-3-5-7-16/h3-13,15H,14,26H2,1-2H3,(H,27,30)
InChIKeyZJMALCVCLQRMGP-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.56
Rot. Bonds6

About 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23832664) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23832664
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)sc2n1
InChIInChI=1S/C25H23N3O2S/c1-15(2)14-19-12-13-20-21(26)23(31-25(20)28-19)24(30)27-18-10-8-17(9-11-18)22(29)16-6-4-3-5-7-16/h3-13,15H,14,26H2,1-2H3,(H,27,30)
InChIKeyZJMALCVCLQRMGP-UHFFFAOYSA-N
XLogP5.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-ethoxyphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745634
3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942274
3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942272
methyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 23745635
3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 949210
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997986
3-amino-N-(4-ethylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23888928
3-amino-N-naphthalen-2-yl-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916901
[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone
CID 23887470
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23832664) is 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)sc2n1.
What is the InChIKey of 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZJMALCVCLQRMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-15(2)14-19-12-13-20-21(26)23(31-25(20)28-19)24(30)27-18-10-8-17(9-11-18)22(29)16-6-4-3-5-7-16/h3-13,15H,14,26H2,1-2H3,(H,27,30).
What are the key properties of 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23832664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).