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

C20H20ClN3O3 — CID 23475609

IUPAC2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCO)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C20H20ClN3O3/c1-2-4-14-10-16-18(20(26)24(14)7-8-25)17(15(11-22)19(23)27-16)12-5-3-6-13(21)9-12/h3,5-6,9-10,17,25H,2,4,7-8,23H2,1H3
InChIKeyOMJAFZDTAUKIEF-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.66
Rot. Bonds5

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

2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475609) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475609
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCO)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C20H20ClN3O3/c1-2-4-14-10-16-18(20(26)24(14)7-8-25)17(15(11-22)19(23)27-16)12-5-3-6-13(21)9-12/h3,5-6,9-10,17,25H,2,4,7-8,23H2,1H3
InChIKeyOMJAFZDTAUKIEF-UHFFFAOYSA-N
XLogP2.66
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475716
2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 662050
2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 23475347
2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475734
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-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475710
2-amino-4-(4-chlorophenyl)-5-oxo-6-(oxolan-2-ylmethyl)-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475668
2-amino-4-(3-chlorophenyl)-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3889172
methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475799
2-amino-4-(3-chlorophenyl)-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4859584
methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate
CID 23475691
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475711

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 23475609) is 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)n1CCO)C(c1cccc(Cl)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is OMJAFZDTAUKIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-2-4-14-10-16-18(20(26)24(14)7-8-25)17(15(11-22)19(23)27-16)12-5-3-6-13(21)9-12/h3,5-6,9-10,17,25H,2,4,7-8,23H2,1H3.
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 385.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).