2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C14H22N4O2S — CID 98659160

IUPAC2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)CN1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C14H22N4O2S/c1-8(2)5-17-11(19)7-18-4-3-9-10(6-18)21-14(16)12(9)13(15)20/h8H,3-7,16H2,1-2H3,(H2,15,20)(H,17,19)
InChIKeyKXILAASOXFZKBY-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.56
Rot. Bonds5

About 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 98659160) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID98659160
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)CN1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C14H22N4O2S/c1-8(2)5-17-11(19)7-18-4-3-9-10(6-18)21-14(16)12(9)13(15)20/h8H,3-7,16H2,1-2H3,(H2,15,20)(H,17,19)
InChIKeyKXILAASOXFZKBY-UHFFFAOYSA-N
XLogP0.56
TPSA101.45 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 ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 71779013
2-amino-6-[(2-cyanophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98659170
2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 175569883
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 43367365
methyl 2-amino-6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098115
methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098114
6-(2-hydroxyethyl)-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 129172309
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
ethyl 2-amino-6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 75424679
6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;methanamine
CID 144599906
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
CID 65354949
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 98659160) is 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)CNC(=O)CN1CCc2c(sc(N)c2C(N)=O)C1.
What is the InChIKey of 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is KXILAASOXFZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8(2)5-17-11(19)7-18-4-3-9-10(6-18)21-14(16)12(9)13(15)20/h8H,3-7,16H2,1-2H3,(H2,15,20)(H,17,19).
What are the key properties of 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2-methylpropylamino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 98659160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).