2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile

C22H16N4O3 — CID 22708087

IUPAC2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1cccc(-n2cc(-c3cc(C#N)c(N)nc3-c3ccco3)ccc2=O)c1
InChIInChI=1S/C22H16N4O3/c1-28-17-5-2-4-16(11-17)26-13-14(7-8-20(26)27)18-10-15(12-23)22(24)25-21(18)19-6-3-9-29-19/h2-11,13H,1H3,(H2,24,25)
InChIKeySIOIJUHSNQEFCL-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.62
Rot. Bonds4

About 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile

2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 22708087) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID22708087
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1cccc(-n2cc(-c3cc(C#N)c(N)nc3-c3ccco3)ccc2=O)c1
InChIInChI=1S/C22H16N4O3/c1-28-17-5-2-4-16(11-17)26-13-14(7-8-20(26)27)18-10-15(12-23)22(24)25-21(18)19-6-3-9-29-19/h2-11,13H,1H3,(H2,24,25)
InChIKeySIOIJUHSNQEFCL-UHFFFAOYSA-N
XLogP3.62
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22708131
2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
CID 22708093
2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile
CID 22707991
2-amino-5-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22707974
1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 89122782
2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22708016
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420996
2-amino-6-(furan-2-yl)-5-[6-[2-(1H-indol-3-yl)ethoxy]-3-pyridinyl]pyridine-3-carbonitrile
CID 12992147
methyl 3-[2-amino-3-cyano-6-(furan-2-yl)-4-pyridinyl]benzoate
CID 56752371
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
4-amino-2-fluoro-5-(3-methoxyphenyl)benzonitrile
CID 168654720

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile (CID 22708087) is 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile is COc1cccc(-n2cc(-c3cc(C#N)c(N)nc3-c3ccco3)ccc2=O)c1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is SIOIJUHSNQEFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-28-17-5-2-4-16(11-17)26-13-14(7-8-20(26)27)18-10-15(12-23)22(24)25-21(18)19-6-3-9-29-19/h2-11,13H,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 384.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-5-[1-(3-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 22708087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).