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

C18H16N4O3 — CID 22708093

IUPAC2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(=O)n(CCCO)c2)c(-c2ccco2)nc1N
InChIInChI=1S/C18H16N4O3/c19-10-13-9-14(17(21-18(13)20)15-3-1-8-25-15)12-4-5-16(24)22(11-12)6-2-7-23/h1,3-5,8-9,11,23H,2,6-7H2,(H2,20,21)
InChIKeyNFFAGXXHGMGDQG-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.01
Rot. Bonds5

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

2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 22708093) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID22708093
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(=O)n(CCCO)c2)c(-c2ccco2)nc1N
InChIInChI=1S/C18H16N4O3/c19-10-13-9-14(17(21-18(13)20)15-3-1-8-25-15)12-4-5-16(24)22(11-12)6-2-7-23/h1,3-5,8-9,11,23H,2,6-7H2,(H2,20,21)
InChIKeyNFFAGXXHGMGDQG-UHFFFAOYSA-N
XLogP2.01
TPSA118.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
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-methoxyphenyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile
CID 22708087
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 59749146
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(3-fluoropropyl)pyridin-2-one
CID 59749154
2-amino-5-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22707974
2-amino-N-[3-(diethylamino)propyl]-5-(1-ethyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carboxamide
CID 22708095
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-pyrrol-1-ylethyl)pyridin-2-one
CID 59749096
2-[5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 59749186
2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22708016
2-amino-6-(furan-2-yl)-5-[6-[2-(1H-indol-3-yl)ethoxy]-3-pyridinyl]pyridine-3-carbonitrile
CID 12992147
2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile
CID 22707991
2-amino-4-(2-amino-2-oxoethyl)-5-(1-ethyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carboxamide
CID 174449261

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile (CID 22708093) is 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(=O)n(CCCO)c2)c(-c2ccco2)nc1N.
What is the InChIKey of 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is NFFAGXXHGMGDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-10-13-9-14(17(21-18(13)20)15-3-1-8-25-15)12-4-5-16(24)22(11-12)6-2-7-23/h1,3-5,8-9,11,23H,2,6-7H2,(H2,20,21).
What are the key properties of 2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile?
2-amino-6-(furan-2-yl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 336.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 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-hydroxypropyl)-6-oxo-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 22708093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).