3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide

C16H23N3OS — CID 81036761

IUPAC3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C16H23N3OS/c1-5-7-19(8-6-2)16(20)15-14(17)13-11(4)18-10(3)9-12(13)21-15/h9H,5-8,17H2,1-4H3
InChIKeyIRFKHJOVGRIOQF-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.76
Rot. Bonds5

About 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81036761) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide
PubChem CID81036761
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C16H23N3OS/c1-5-7-19(8-6-2)16(20)15-14(17)13-11(4)18-10(3)9-12(13)21-15/h9H,5-8,17H2,1-4H3
InChIKeyIRFKHJOVGRIOQF-UHFFFAOYSA-N
XLogP3.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide (CID 81036761) is 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide is CCCN(CCC)C(=O)c1sc2cc(C)nc(C)c2c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is IRFKHJOVGRIOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-7-19(8-6-2)16(20)15-14(17)13-11(4)18-10(3)9-12(13)21-15/h9H,5-8,17H2,1-4H3.
What are the key properties of 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81036761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).