2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C20H16N4O3 — CID 667105

IUPAC2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1ccco1)C(c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H16N4O3/c1-12-8-16-18(20(25)24(12)11-14-5-3-7-26-14)17(13-4-2-6-23-10-13)15(9-21)19(22)27-16/h2-8,10,17H,11,22H2,1H3
InChIKeyNLVQIZSMRAUGAR-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 667105) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID667105
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1ccco1)C(c1cccnc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H16N4O3/c1-12-8-16-18(20(25)24(12)11-14-5-3-7-26-14)17(13-4-2-6-23-10-13)15(9-21)19(22)27-16/h2-8,10,17H,11,22H2,1H3
InChIKeyNLVQIZSMRAUGAR-UHFFFAOYSA-N
XLogP2.41
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 667105) is 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1Cc1ccco1)C(c1cccnc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is NLVQIZSMRAUGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-8-16-18(20(25)24(12)11-14-5-3-7-26-14)17(13-4-2-6-23-10-13)15(9-21)19(22)27-16/h2-8,10,17H,11,22H2,1H3.
What are the key properties of 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 360.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 667105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).