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

C17H16N4O3 — CID 23475544

IUPAC2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCO)C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H16N4O3/c1-10-8-13-15(17(23)21(10)6-7-22)14(11-2-4-20-5-3-11)12(9-18)16(19)24-13/h2-5,8,14,22H,6-7,19H2,1H3
InChIKeyBFEIVHBKTRHTPE-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.76
Rot. Bonds3

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

2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475544) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475544
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCO)C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H16N4O3/c1-10-8-13-15(17(23)21(10)6-7-22)14(11-2-4-20-5-3-11)12(9-18)16(19)24-13/h2-5,8,14,22H,6-7,19H2,1H3
InChIKeyBFEIVHBKTRHTPE-UHFFFAOYSA-N
XLogP0.76
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 16803411
2-amino-4-(4-bromophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4895031
2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
CID 7006805
2-amino-6-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3773637
(4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1418475
2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475741
2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 2754014
(4R)-2-amino-7-methyl-4-(4-methylphenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 51566983
2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751699
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4891815
2-amino-6-[2-(3,4-dihydroxyphenyl)ethyl]-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4897963

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 23475544) is 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCO)C(c1ccncc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is BFEIVHBKTRHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-8-13-15(17(23)21(10)6-7-22)14(11-2-4-20-5-3-11)12(9-18)16(19)24-13/h2-5,8,14,22H,6-7,19H2,1H3.
What are the key properties of 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).