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

C21H22ClN3O3 — CID 23475710

IUPAC2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCOC)C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C21H22ClN3O3/c1-3-6-13-11-17-19(21(26)25(13)9-10-27-2)18(15(12-23)20(24)28-17)14-7-4-5-8-16(14)22/h4-5,7-8,11,18H,3,6,9-10,24H2,1-2H3
InChIKeyZCPGQPSIQBZSBQ-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.32
Rot. Bonds6

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

2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475710) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475710
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCOC)C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C21H22ClN3O3/c1-3-6-13-11-17-19(21(26)25(13)9-10-27-2)18(15(12-23)20(24)28-17)14-7-4-5-8-16(14)22/h4-5,7-8,11,18H,3,6,9-10,24H2,1-2H3
InChIKeyZCPGQPSIQBZSBQ-UHFFFAOYSA-N
XLogP3.32
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475716
2-amino-4-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4671188
ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475797
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
2-amino-4-(2-chlorophenyl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4890496
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 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 16833129
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-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-(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 23475710) is 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)n1CCOC)C(c1ccccc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is ZCPGQPSIQBZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-3-6-13-11-17-19(21(26)25(13)9-10-27-2)18(15(12-23)20(24)28-17)14-7-4-5-8-16(14)22/h4-5,7-8,11,18H,3,6,9-10,24H2,1-2H3.
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 399.88 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).