3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide

C22H25N3O2S — CID 16762626

IUPAC3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(NC(=O)C(C)(C)C)c(C(=O)N(C)c3ccccc3)sc2n1
InChIInChI=1S/C22H25N3O2S/c1-13-12-14(2)23-19-16(13)17(24-21(27)22(3,4)5)18(28-19)20(26)25(6)15-10-8-7-9-11-15/h7-12H,1-6H3,(H,24,27)
InChIKeyQUKYLGDTGAVHTM-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.17
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide

3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 16762626) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID16762626
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(NC(=O)C(C)(C)C)c(C(=O)N(C)c3ccccc3)sc2n1
InChIInChI=1S/C22H25N3O2S/c1-13-12-14(2)23-19-16(13)17(24-21(27)22(3,4)5)18(28-19)20(26)25(6)15-10-8-7-9-11-15/h7-12H,1-6H3,(H,24,27)
InChIKeyQUKYLGDTGAVHTM-UHFFFAOYSA-N
XLogP5.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-Amino-5-ethyl-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 750440
2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
(3-Amino-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 16762626) is 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(NC(=O)C(C)(C)C)c(C(=O)N(C)c3ccccc3)sc2n1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QUKYLGDTGAVHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-13-12-14(2)23-19-16(13)17(24-21(27)22(3,4)5)18(28-19)20(26)25(6)15-10-8-7-9-11-15/h7-12H,1-6H3,(H,24,27).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 16762626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).