4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate

C21H22N6O4 — CID 167653982

IUPAC4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc2c(N)nccc2o1.N#Cc1cc2c(N)nccc2o1
InChIInChI=1S/C13H17N3O3.C8H5N3O/c1-13(2,3)19-12(17)16-7-8-6-9-10(18-8)4-5-15-11(9)14;9-4-5-3-6-7(12-5)1-2-11-8(6)10/h4-6H,7H2,1-3H3,(H2,14,15)(H,16,17);1-3H,(H2,10,11)
InChIKeyQZFIIYFOQNSTCA-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.72
Rot. Bonds2

About 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate

4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate (PubChem CID 167653982) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate
PubChem CID167653982
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc2c(N)nccc2o1.N#Cc1cc2c(N)nccc2o1
InChIInChI=1S/C13H17N3O3.C8H5N3O/c1-13(2,3)19-12(17)16-7-8-6-9-10(18-8)4-5-15-11(9)14;9-4-5-3-6-7(12-5)1-2-11-8(6)10/h4-6H,7H2,1-3H3,(H2,14,15)(H,16,17);1-3H,(H2,10,11)
InChIKeyQZFIIYFOQNSTCA-UHFFFAOYSA-N
XLogP3.72
TPSA166.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxochromene-6-carboxylic acid
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tert-butyl N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]carbamate
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tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate
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tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
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tert-butyl N-[(2-cyanopyrimidin-5-yl)methyl]carbamate
CID 22476025
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
CID 170490568
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
tert-butyl N-[4-(3-amino-4-cyanophenyl)but-3-enyl]carbamate
CID 170490413
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700

Frequently Asked Questions

What is the IUPAC name of 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate?
The IUPAC name of 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate (CID 167653982) is 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate.
What is the SMILES notation for 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate?
The canonical SMILES for 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc2c(N)nccc2o1.N#Cc1cc2c(N)nccc2o1.
What is the InChIKey of 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate?
The InChIKey is QZFIIYFOQNSTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.C8H5N3O/c1-13(2,3)19-12(17)16-7-8-6-9-10(18-8)4-5-15-11(9)14;9-4-5-3-6-7(12-5)1-2-11-8(6)10/h4-6H,7H2,1-3H3,(H2,14,15)(H,16,17);1-3H,(H2,10,11).
What are the key properties of 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate?
4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate has a molecular weight of 422.45 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminofuro[3,2-c]pyridine-2-carbonitrile;tert-butyl N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 167653982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).