2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

C17H19N3O — CID 873023

IUPAC2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)o1
InChIInChI=1S/C17H19N3O/c1-11-8-9-15(21-11)16-12-6-4-2-3-5-7-14(12)20-17(19)13(16)10-18/h8-9H,2-7H2,1H3,(H2,19,20)
InChIKeyBFIFTWSAMIFVIT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds1

About 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (PubChem CID 873023) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
PubChem CID873023
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)o1
InChIInChI=1S/C17H19N3O/c1-11-8-9-15(21-11)16-12-6-4-2-3-5-7-14(12)20-17(19)13(16)10-18/h8-9H,2-7H2,1H3,(H2,19,20)
InChIKeyBFIFTWSAMIFVIT-UHFFFAOYSA-N
XLogP3.76
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-Amino-4-(2-furyl)-6-phenylnicotinonitrile
CID 743242
2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 679296
2-amino-4-(5-methyl-2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
MAP Kinase Inhibitor, 2
CID 3399382
N-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]acetamide
CID 671422
2-Amino-4-(5-methyl-2-furyl)-6-phenylnicotinonitrile
CID 3355257
2-Amino-6-cyclopropyl-4-(furan-2-yl)pyridine-3-carbonitrile
CID 659053
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445
2-Amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
CID 748950
2-amino-4-(2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CID 873023) is 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The InChIKey is BFIFTWSAMIFVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-8-9-15(21-11)16-12-6-4-2-3-5-7-14(12)20-17(19)13(16)10-18/h8-9H,2-7H2,1H3,(H2,19,20).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 873023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).