2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C24H21FN4O3 — CID 135505661

IUPAC2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)NCc4ccco4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C24H21FN4O3/c1-14-4-7-21(19(25)11-14)28-15-5-9-22(30)18(12-15)20-8-6-17(23(26)29-20)24(31)27-13-16-3-2-10-32-16/h2-12,28,30H,13H2,1H3,(H2,26,29)(H,27,31)
InChIKeyOCXKTAWJOIYTKG-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.75
Rot. Bonds6

About 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 135505661) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID135505661
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)NCc4ccco4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C24H21FN4O3/c1-14-4-7-21(19(25)11-14)28-15-5-9-22(30)18(12-15)20-8-6-17(23(26)29-20)24(31)27-13-16-3-2-10-32-16/h2-12,28,30H,13H2,1H3,(H2,26,29)(H,27,31)
InChIKeyOCXKTAWJOIYTKG-UHFFFAOYSA-N
XLogP4.75
TPSA113.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(piperazin-1-yl)phenyl]pyridin-2-yl]furan-2-carboxamide
CID 135401501
N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-{[(2R)-pyrrolidin-2-ylacetyl]amino}phenyl)pyridin-2-yl]furan-2-carboxamide
CID 135410889
N-(4-(3-(3-aminopropanamido)phenyl)-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl)furan-2-carboxamide
CID 135936875
N-[4-{3-[(2-Aminoethyl)carbamoyl]phenyl}-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016407
N-[4-{3-[(3-Amino-2,2-dimethylpropyl)carbamoyl]-phenyl}-3-cyano-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]-furan-2-carboxamide
CID 136016412
N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-{3-[(N-methylbeta-alanyl)amino]phenyl}pyridin-2-yl]furan-2-carboxamide
CID 136016472
N-[3-Cyano-4-{3-[(N-ethyl-N-methyl-beta-alanyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016474
N-[3-Cyano-4-{3-[(N,N-diethyl-beta-alanyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016475
rac-N-[3-Cyano-4-(3-{[3-(ethylamino)butanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016476
rac-N-[3-Cyano-4-(3-{[3-(dimethylamino)butanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016477
rac-N-[3-Cyano-4-(3-{[3-(diethylamino)butanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016478
rac-N-[3-Cyano-4-(3-{[3-(ethylamino)pentanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
CID 136016479

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 135505661) is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)NCc4ccco4)c(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OCXKTAWJOIYTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14-4-7-21(19(25)11-14)28-15-5-9-22(30)18(12-15)20-8-6-17(23(26)29-20)24(31)27-13-16-3-2-10-32-16/h2-12,28,30H,13H2,1H3,(H2,26,29)(H,27,31).
What are the key properties of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135505661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).