3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide

C23H33N3OS — CID 23971322

IUPAC3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1ccc2c(N)c(C(=O)N(C3CCCCC3)C3CCCCC3)sc2n1
InChIInChI=1S/C23H33N3OS/c1-2-9-16-14-15-19-20(24)21(28-22(19)25-16)23(27)26(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h14-15,17-18H,2-13,24H2,1H3
InChIKeyBXHQTMZEPALMKT-UHFFFAOYSA-N
MW399.60 g/mol
LogP5.94
Rot. Bonds5

About 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23971322) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23971322
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC Name3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1ccc2c(N)c(C(=O)N(C3CCCCC3)C3CCCCC3)sc2n1
InChIInChI=1S/C23H33N3OS/c1-2-9-16-14-15-19-20(24)21(28-22(19)25-16)23(27)26(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h14-15,17-18H,2-13,24H2,1H3
InChIKeyBXHQTMZEPALMKT-UHFFFAOYSA-N
XLogP5.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
A-794278
CID 11537456
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23971322) is 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1ccc2c(N)c(C(=O)N(C3CCCCC3)C3CCCCC3)sc2n1.
What is the InChIKey of 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BXHQTMZEPALMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-2-9-16-14-15-19-20(24)21(28-22(19)25-16)23(27)26(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h14-15,17-18H,2-13,24H2,1H3.
What are the key properties of 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 399.60 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23971322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).