2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C17H13N3O2 — CID 56864350

IUPAC2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cc3ccccc3o1)COCC2
InChIInChI=1S/C17H13N3O2/c18-8-11-16(12-9-21-6-5-13(12)20-17(11)19)15-7-10-3-1-2-4-14(10)22-15/h1-4,7H,5-6,9H2,(H2,19,20)
InChIKeyQZCXZJXCBXZSTE-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.02
Rot. Bonds1

About 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 56864350) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID56864350
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cc3ccccc3o1)COCC2
InChIInChI=1S/C17H13N3O2/c18-8-11-16(12-9-21-6-5-13(12)20-17(11)19)15-7-10-3-1-2-4-14(10)22-15/h1-4,7H,5-6,9H2,(H2,19,20)
InChIKeyQZCXZJXCBXZSTE-UHFFFAOYSA-N
XLogP3.02
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864257
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56876489
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272817
4-amino-6-(1-benzofuran-2-yl)-2-[2-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carbonitrile
CID 175566686
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 91137001
2-amino-4-(3-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82119478
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
CID 56868774

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 56864350) is 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cc3ccccc3o1)COCC2.
What is the InChIKey of 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is QZCXZJXCBXZSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-8-11-16(12-9-21-6-5-13(12)20-17(11)19)15-7-10-3-1-2-4-14(10)22-15/h1-4,7H,5-6,9H2,(H2,19,20).
What are the key properties of 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56864350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).