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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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).