tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate

C14H17N3O4S — CID 141444658

IUPACtert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate
SMILESCOc1ccnc2c(C(N)=O)c(NC(=O)OC(C)(C)C)sc12
InChIInChI=1S/C14H17N3O4S/c1-14(2,3)21-13(19)17-12-8(11(15)18)9-10(22-12)7(20-4)5-6-16-9/h5-6H,1-4H3,(H2,15,18)(H,17,19)
InChIKeyORARWWQMIMOICY-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate

tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate (PubChem CID 141444658) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate
PubChem CID141444658
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Nametert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate
SMILESCOc1ccnc2c(C(N)=O)c(NC(=O)OC(C)(C)C)sc12
InChIInChI=1S/C14H17N3O4S/c1-14(2,3)21-13(19)17-12-8(11(15)18)9-10(22-12)7(20-4)5-6-16-9/h5-6H,1-4H3,(H2,15,18)(H,17,19)
InChIKeyORARWWQMIMOICY-UHFFFAOYSA-N
XLogP2.75
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxypyridine-3-carboxamide
CID 22356790
tert-butyl N-[4-[6-(4-methoxy-3-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenyl]carbamate
CID 176851074
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-3-carboxylic acid
CID 46941677
tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
CID 141395789
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate
CID 134102474
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
methyl N-[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate
CID 873759
tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
CID 138106122
methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate
CID 70123420

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate (CID 141444658) is tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate is COc1ccnc2c(C(N)=O)c(NC(=O)OC(C)(C)C)sc12.
What is the InChIKey of tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate?
The InChIKey is ORARWWQMIMOICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-14(2,3)21-13(19)17-12-8(11(15)18)9-10(22-12)7(20-4)5-6-16-9/h5-6H,1-4H3,(H2,15,18)(H,17,19).
What are the key properties of tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate?
tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate has a molecular weight of 323.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-carbamoyl-7-methoxythieno[3,2-b]pyridin-2-yl)carbamate is sourced from PubChem (CID 141444658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).