2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile

C21H20N4O3 — CID 18886471

IUPAC2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C21H20N4O3/c1-11(2)10-25-15-7-5-4-6-13(15)21(20(25)27)14(9-22)18(23)28-16-8-12(3)24-19(26)17(16)21/h4-8,11H,10,23H2,1-3H3,(H,24,26)
InChIKeyFAVAQOWCZMOEAH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.06
Rot. Bonds2

About 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile

2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile (PubChem CID 18886471) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
PubChem CID18886471
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C21H20N4O3/c1-11(2)10-25-15-7-5-4-6-13(15)21(20(25)27)14(9-22)18(23)28-16-8-12(3)24-19(26)17(16)21/h4-8,11H,10,23H2,1-3H3,(H,24,26)
InChIKeyFAVAQOWCZMOEAH-UHFFFAOYSA-N
XLogP2.06
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile (CID 18886471) is 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)C1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The InChIKey is FAVAQOWCZMOEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-11(2)10-25-15-7-5-4-6-13(15)21(20(25)27)14(9-22)18(23)28-16-8-12(3)24-19(26)17(16)21/h4-8,11H,10,23H2,1-3H3,(H,24,26).
What are the key properties of 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 18886471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).