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

C21H21Cl2N3O3 — CID 23475716

IUPAC2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCOC)C(c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C21H21Cl2N3O3/c1-3-4-13-10-17-19(21(27)26(13)7-8-28-2)18(14(11-24)20(25)29-17)12-5-6-15(22)16(23)9-12/h5-6,9-10,18H,3-4,7-8,25H2,1-2H3
InChIKeyUVEWWFJZOPLTJZ-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.97
Rot. Bonds6

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

2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475716) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475716
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCOC)C(c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C21H21Cl2N3O3/c1-3-4-13-10-17-19(21(27)26(13)7-8-28-2)18(14(11-24)20(25)29-17)12-5-6-15(22)16(23)9-12/h5-6,9-10,18H,3-4,7-8,25H2,1-2H3
InChIKeyUVEWWFJZOPLTJZ-UHFFFAOYSA-N
XLogP3.97
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475711
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475741
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-(3,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3758486
2-amino-4-(4-bromophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4895031
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-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475734
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-methyl-4-(4-nitrophenyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475586
2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4893538

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 23475716) is 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)n1CCOC)C(c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is UVEWWFJZOPLTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-3-4-13-10-17-19(21(27)26(13)7-8-28-2)18(14(11-24)20(25)29-17)12-5-6-15(22)16(23)9-12/h5-6,9-10,18H,3-4,7-8,25H2,1-2H3.
What are the key properties of 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 434.32 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).