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

C18H16ClN3O2 — CID 23475347

IUPAC2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C18H16ClN3O2/c1-2-4-12-8-14-16(18(23)22-12)15(13(9-20)17(21)24-14)10-5-3-6-11(19)7-10/h3,5-8,15H,2,4,21H2,1H3,(H,22,23)
InChIKeyJVQXZBRZZJYQBV-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.20
Rot. Bonds3

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

2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475347) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475347
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C18H16ClN3O2/c1-2-4-12-8-14-16(18(23)22-12)15(13(9-20)17(21)24-14)10-5-3-6-11(19)7-10/h3,5-8,15H,2,4,21H2,1H3,(H,22,23)
InChIKeyJVQXZBRZZJYQBV-UHFFFAOYSA-N
XLogP3.20
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
(4S)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 6560114
(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 834770
ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475758
2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 662050
methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475766
2-amino-4-(3-chlorophenyl)-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3889172
ethyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 2839129
(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1261430
(4R)-2-amino-4-(3-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 51524563
2-amino-4-(3-chlorophenyl)-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4859584
ethyl (4S)-6-amino-4-(3-chlorophenyl)-5-cyano-2-ethyl-4H-pyran-3-carboxylate
CID 792038

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 23475347) is 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)[nH]1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is JVQXZBRZZJYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-4-12-8-14-16(18(23)22-12)15(13(9-20)17(21)24-14)10-5-3-6-11(19)7-10/h3,5-8,15H,2,4,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 341.80 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).