tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate

C21H30N4O3S — CID 23401059

IUPACtert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate
SMILESCCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C21H30N4O3S/c1-5-6-13-11-14(24-19-15(13)16(22)17(29-19)18(23)26)12-7-9-25(10-8-12)20(27)28-21(2,3)4/h11-12H,5-10,22H2,1-4H3,(H2,23,26)
InChIKeyJSJMNFGEQPYJIW-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.04
Rot. Bonds4

About tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate

tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate (PubChem CID 23401059) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate
PubChem CID23401059
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Nametert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate
SMILESCCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C21H30N4O3S/c1-5-6-13-11-14(24-19-15(13)16(22)17(29-19)18(23)26)12-7-9-25(10-8-12)20(27)28-21(2,3)4/h11-12H,5-10,22H2,1-4H3,(H2,23,26)
InChIKeyJSJMNFGEQPYJIW-UHFFFAOYSA-N
XLogP4.04
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate
CID 23401058
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400921
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate
CID 23401051
tert-butyl (3R)-3-[[5-amino-6-carbamoyl-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 86617287
3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400987
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate (CID 23401059) is tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate is CCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate?
The InChIKey is JSJMNFGEQPYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-5-6-13-11-14(24-19-15(13)16(22)17(29-19)18(23)26)12-7-9-25(10-8-12)20(27)28-21(2,3)4/h11-12H,5-10,22H2,1-4H3,(H2,23,26).
What are the key properties of tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate has a molecular weight of 418.56 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23401059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).