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

C26H30FN5O3 — CID 135505832

IUPAC2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)NCCCN4CCOCC4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C26H30FN5O3/c1-17-3-6-23(21(27)15-17)30-18-4-8-24(33)20(16-18)22-7-5-19(25(28)31-22)26(34)29-9-2-10-32-11-13-35-14-12-32/h3-8,15-16,30,33H,2,9-14H2,1H3,(H2,28,31)(H,29,34)
InChIKeyCWEXAWYTQUQCKH-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.68
Rot. Bonds8

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

2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 135505832) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID135505832
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)NCCCN4CCOCC4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C26H30FN5O3/c1-17-3-6-23(21(27)15-17)30-18-4-8-24(33)20(16-18)22-7-5-19(25(28)31-22)26(34)29-9-2-10-32-11-13-35-14-12-32/h3-8,15-16,30,33H,2,9-14H2,1H3,(H2,28,31)(H,29,34)
InChIKeyCWEXAWYTQUQCKH-UHFFFAOYSA-N
XLogP3.68
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 66959336
5-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959441
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3774401
2-[4-(2-fluorophenyl)-1-piperazinyl]-6-(2-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]nicotinamide
CID 29149657
1-(4-Benzoylphenyl)-2-[4-[3-(diethylaminomethyl)-4-hydroxyanilino]-6-(trifluoromethyl)pyrimidin-2-yl]guanidine
CID 44458507
1-(4-Benzoylphenyl)-2-[4-[3-[(dimethylamino)methyl]-4-hydroxyanilino]-6-(trifluoromethyl)pyrimidin-2-yl]guanidine
CID 44458667
6-(2-methoxyphenyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 126475230
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 29151051
6-(5-fluoro-2-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094503
2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide
CID 91215735
2-Amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135461021
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 135505661

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 135505832) is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is Cc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)NCCCN4CCOCC4)c(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is CWEXAWYTQUQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-17-3-6-23(21(27)15-17)30-18-4-8-24(33)20(16-18)22-7-5-19(25(28)31-22)26(34)29-9-2-10-32-11-13-35-14-12-32/h3-8,15-16,30,33H,2,9-14H2,1H3,(H2,28,31)(H,29,34).
What are the key properties of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.68, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 135505832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).