methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

C24H33N5O3S — CID 71495833

IUPACmethyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccnc2NC2CC(C)(C)NC(C)(C)C2)sc2c1CCNC2
InChIInChI=1S/C24H33N5O3S/c1-23(2)11-14(12-24(3,4)29-23)27-19-16(7-6-9-26-19)20(30)28-21-18(22(31)32-5)15-8-10-25-13-17(15)33-21/h6-7,9,14,25,29H,8,10-13H2,1-5H3,(H,26,27)(H,28,30)
InChIKeyDGJBNDXYQZRGSS-UHFFFAOYSA-N
MW471.63 g/mol
LogP3.55
Rot. Bonds5

About methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 71495833) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID71495833
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Namemethyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccnc2NC2CC(C)(C)NC(C)(C)C2)sc2c1CCNC2
InChIInChI=1S/C24H33N5O3S/c1-23(2)11-14(12-24(3,4)29-23)27-19-16(7-6-9-26-19)20(30)28-21-18(22(31)32-5)15-8-10-25-13-17(15)33-21/h6-7,9,14,25,29H,8,10-13H2,1-5H3,(H,26,27)(H,28,30)
InChIKeyDGJBNDXYQZRGSS-UHFFFAOYSA-N
XLogP3.55
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CID 71495833) is methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(NC(=O)c2cccnc2NC2CC(C)(C)NC(C)(C)C2)sc2c1CCNC2.
What is the InChIKey of methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is DGJBNDXYQZRGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-23(2)11-14(12-24(3,4)29-23)27-19-16(7-6-9-26-19)20(30)28-21-18(22(31)32-5)15-8-10-25-13-17(15)33-21/h6-7,9,14,25,29H,8,10-13H2,1-5H3,(H,26,27)(H,28,30).
What are the key properties of methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 471.63 g/mol, XLogP of 3.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 71495833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).