tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate

C26H31N5O3S — CID 74048034

IUPACtert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cc(C=Cc3ccccc3)c3c(N)c(C(N)=O)sc3n2)CC1
InChIInChI=1S/C26H31N5O3S/c1-26(2,3)34-25(33)29-18-11-13-31(14-12-18)19-15-17(10-9-16-7-5-4-6-8-16)20-21(27)22(23(28)32)35-24(20)30-19/h4-10,15,18H,11-14,27H2,1-3H3,(H2,28,32)(H,29,33)
InChIKeyGHSGBTZBNYZLPG-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.64
Rot. Bonds5

About tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate (PubChem CID 74048034) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate
PubChem CID74048034
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Nametert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cc(C=Cc3ccccc3)c3c(N)c(C(N)=O)sc3n2)CC1
InChIInChI=1S/C26H31N5O3S/c1-26(2,3)34-25(33)29-18-11-13-31(14-12-18)19-15-17(10-9-16-7-5-4-6-8-16)20-21(27)22(23(28)32)35-24(20)30-19/h4-10,15,18H,11-14,27H2,1-3H3,(H2,28,32)(H,29,33)
InChIKeyGHSGBTZBNYZLPG-UHFFFAOYSA-N
XLogP4.64
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278581
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 10450537
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]carbamate
CID 11949675
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
3-amino-6-[4-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
CID 161274110
3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate (CID 74048034) is tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cc(C=Cc3ccccc3)c3c(N)c(C(N)=O)sc3n2)CC1.
What is the InChIKey of tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate?
The InChIKey is GHSGBTZBNYZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-26(2,3)34-25(33)29-18-11-13-31(14-12-18)19-15-17(10-9-16-7-5-4-6-8-16)20-21(27)22(23(28)32)35-24(20)30-19/h4-10,15,18H,11-14,27H2,1-3H3,(H2,28,32)(H,29,33).
What are the key properties of tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate has a molecular weight of 493.63 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 74048034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).