6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide

C28H24FN3O3 — CID 155288265

IUPAC6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1C=O
InChIInChI=1S/C28H24FN3O3/c1-16-20(19-12-24(29)23(15-33)26(13-19)35-3)6-4-7-21(16)22-8-5-9-25(17(22)2)32-28(34)18-10-11-27(30)31-14-18/h4-15H,1-3H3,(H2,30,31)(H,32,34)
InChIKeyILYDUIFAQDVGIB-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.83
Rot. Bonds6

About 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide

6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 155288265) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID155288265
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1C=O
InChIInChI=1S/C28H24FN3O3/c1-16-20(19-12-24(29)23(15-33)26(13-19)35-3)6-4-7-21(16)22-8-5-9-25(17(22)2)32-28(34)18-10-11-27(30)31-14-18/h4-15H,1-3H3,(H2,30,31)(H,32,34)
InChIKeyILYDUIFAQDVGIB-UHFFFAOYSA-N
XLogP5.83
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-[3-[4-(aminomethyl)-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyrimidine-2,5-dicarboxamide
CID 155379242
N-[2-chloro-3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 155288409
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-[3-[3-[4-(aminomethyl)-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 155288375
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
1-[[4-[3-[3-[(6-aminopyrimidine-4-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-2-fluoro-6-methoxyphenyl]methyl]azetidine-3-carboxylic acid
CID 155379250
N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 155288557
2-[[6-[[3-[3-[4-[[(2-carboxy-1-hydroxypropan-2-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 155379349
N-[3-[3-[4-[[(4-amino-4-oxobutyl)amino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 155288524
5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 170735019
6-amino-N-(2,6-difluorophenyl)pyridine-3-carboxamide
CID 62155427

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide (CID 155288265) is 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1C=O.
What is the InChIKey of 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is ILYDUIFAQDVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c1-16-20(19-12-24(29)23(15-33)26(13-19)35-3)6-4-7-21(16)22-8-5-9-25(17(22)2)32-28(34)18-10-11-27(30)31-14-18/h4-15H,1-3H3,(H2,30,31)(H,32,34).
What are the key properties of 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide?
6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155288265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).