3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C22H27N5O2S — CID 110130540

IUPAC3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1ncccc1CN1CCOC(c2c(C(=O)NC(C)C)sc3ncccc23)C1
InChIInChI=1S/C22H27N5O2S/c1-14(2)26-21(28)19-18(16-7-5-9-25-22(16)30-19)17-13-27(10-11-29-17)12-15-6-4-8-24-20(15)23-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,24)(H,26,28)
InChIKeyZIMVEISEDLIDBF-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.44
Rot. Bonds6

About 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130540) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130540
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1ncccc1CN1CCOC(c2c(C(=O)NC(C)C)sc3ncccc23)C1
InChIInChI=1S/C22H27N5O2S/c1-14(2)26-21(28)19-18(16-7-5-9-25-22(16)30-19)17-13-27(10-11-29-17)12-15-6-4-8-24-20(15)23-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,24)(H,26,28)
InChIKeyZIMVEISEDLIDBF-UHFFFAOYSA-N
XLogP3.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 110130540) is 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CNc1ncccc1CN1CCOC(c2c(C(=O)NC(C)C)sc3ncccc23)C1.
What is the InChIKey of 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZIMVEISEDLIDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-14(2)26-21(28)19-18(16-7-5-9-25-22(16)30-19)17-13-27(10-11-29-17)12-15-6-4-8-24-20(15)23-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,24)(H,26,28).
What are the key properties of 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).