3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C17H22N4O3S — CID 124998861

IUPAC3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCC(=O)N1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1
InChIInChI=1S/C17H22N4O3S/c1-20(2)17(23)15-14(18)10-6-7-11(19-16(10)25-15)12-5-4-8-21(12)13(22)9-24-3/h6-7,12H,4-5,8-9,18H2,1-3H3/t12-/m1/s1
InChIKeyRKTWBLULRLCUKF-GFCCVEGCSA-N
MW362.46 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124998861) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID124998861
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCC(=O)N1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1
InChIInChI=1S/C17H22N4O3S/c1-20(2)17(23)15-14(18)10-6-7-11(19-16(10)25-15)12-5-4-8-21(12)13(22)9-24-3/h6-7,12H,4-5,8-9,18H2,1-3H3/t12-/m1/s1
InChIKeyRKTWBLULRLCUKF-GFCCVEGCSA-N
XLogP1.89
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 125010775
3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125013566
3-amino-N-methyl-6-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124951356
3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124983437
3-amino-N-methyl-6-[1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 175657439
3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110098684
3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124963286
3-amino-6-[1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155983360
3-amino-N-methyl-6-[(2S)-1-[3-[methyl(pyridin-2-ylmethyl)amino]propanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124985728
3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110098699
3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124958655
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 124998861) is 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is COCC(=O)N1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1.
What is the InChIKey of 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RKTWBLULRLCUKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20(2)17(23)15-14(18)10-6-7-11(19-16(10)25-15)12-5-4-8-21(12)13(22)9-24-3/h6-7,12H,4-5,8-9,18H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124998861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).