3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C17H22N4O2S — CID 125010775

IUPAC3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1
InChIInChI=1S/C17H22N4O2S/c1-4-13(22)21-9-5-6-12(21)11-8-7-10-14(18)15(17(23)20(2)3)24-16(10)19-11/h7-8,12H,4-6,9,18H2,1-3H3/t12-/m0/s1
InChIKeyVLPSFPFXZCYIAM-LBPRGKRZSA-N
MW346.46 g/mol
LogP2.65
Rot. Bonds3

About 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 125010775) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID125010775
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1
InChIInChI=1S/C17H22N4O2S/c1-4-13(22)21-9-5-6-12(21)11-8-7-10-14(18)15(17(23)20(2)3)24-16(10)19-11/h7-8,12H,4-6,9,18H2,1-3H3/t12-/m0/s1
InChIKeyVLPSFPFXZCYIAM-LBPRGKRZSA-N
XLogP2.65
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 125010775) is 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CCC(=O)N1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1.
What is the InChIKey of 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VLPSFPFXZCYIAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-13(22)21-9-5-6-12(21)11-8-7-10-14(18)15(17(23)20(2)3)24-16(10)19-11/h7-8,12H,4-6,9,18H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-6-[(2S)-1-propanoylpyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 125010775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).