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

C23H20N4O2 — CID 661875

IUPAC2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C23H20N4O2/c1-15-10-20-21(23(28)27(15)14-17-8-5-9-26-13-17)18(19(12-24)22(25)29-20)11-16-6-3-2-4-7-16/h2-10,13,18H,11,14,25H2,1H3
InChIKeyHAGGCUKPKMOILB-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.01
Rot. Bonds4

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

2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 661875) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID661875
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C23H20N4O2/c1-15-10-20-21(23(28)27(15)14-17-8-5-9-26-13-17)18(19(12-24)22(25)29-20)11-16-6-3-2-4-7-16/h2-10,13,18H,11,14,25H2,1H3
InChIKeyHAGGCUKPKMOILB-UHFFFAOYSA-N
XLogP3.01
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 661875) is 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is HAGGCUKPKMOILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-10-20-21(23(28)27(15)14-17-8-5-9-26-13-17)18(19(12-24)22(25)29-20)11-16-6-3-2-4-7-16/h2-10,13,18H,11,14,25H2,1H3.
What are the key properties of 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzyl-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 661875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).