2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C14H22N4O2S — CID 39162883

IUPAC2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(C)=O)c2C(=O)NCCN)C1
InChIInChI=1S/C14H22N4O2S/c1-3-18-7-4-10-11(8-18)21-14(17-9(2)19)12(10)13(20)16-6-5-15/h3-8,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyGYMKPOFVFKUVJB-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.77
Rot. Bonds5

About 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 39162883) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID39162883
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(C)=O)c2C(=O)NCCN)C1
InChIInChI=1S/C14H22N4O2S/c1-3-18-7-4-10-11(8-18)21-14(17-9(2)19)12(10)13(20)16-6-5-15/h3-8,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyGYMKPOFVFKUVJB-UHFFFAOYSA-N
XLogP0.77
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 110193445
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid
CID 39176049
2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 118307433
6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 149437821
N-(2-aminoethyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39162779
2-[[4-(dimethylamino)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3516740
ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43949958
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261
2-[(4-ethoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4161508

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 39162883) is 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(C)=O)c2C(=O)NCCN)C1.
What is the InChIKey of 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is GYMKPOFVFKUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-18-7-4-10-11(8-18)21-14(17-9(2)19)12(10)13(20)16-6-5-15/h3-8,15H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 39162883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).