N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C19H27N3O2S — CID 60513491

IUPACN-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1sc2nc(C)cc(C)c2c1C
InChIInChI=1S/C19H27N3O2S/c1-6-22(7-2)15(23)9-8-10-20-18(24)17-14(5)16-12(3)11-13(4)21-19(16)25-17/h11H,6-10H2,1-5H3,(H,20,24)
InChIKeyVUULKXFGWKGODH-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.60
Rot. Bonds7

About N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 60513491) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID60513491
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1sc2nc(C)cc(C)c2c1C
InChIInChI=1S/C19H27N3O2S/c1-6-22(7-2)15(23)9-8-10-20-18(24)17-14(5)16-12(3)11-13(4)21-19(16)25-17/h11H,6-10H2,1-5H3,(H,20,24)
InChIKeyVUULKXFGWKGODH-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 60513491) is N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is CCN(CC)C(=O)CCCNC(=O)c1sc2nc(C)cc(C)c2c1C.
What is the InChIKey of N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VUULKXFGWKGODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-6-22(7-2)15(23)9-8-10-20-18(24)17-14(5)16-12(3)11-13(4)21-19(16)25-17/h11H,6-10H2,1-5H3,(H,20,24).
What are the key properties of N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 60513491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).