N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide

C26H20FN3O4 — CID 155092418

IUPACN-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(O)c(C(=O)c2ccc(Nc3ccccc3NC(=O)c3ccncc3)cc2)c1F
InChIInChI=1S/C26H20FN3O4/c1-34-22-11-10-21(31)23(24(22)27)25(32)16-6-8-18(9-7-16)29-19-4-2-3-5-20(19)30-26(33)17-12-14-28-15-13-17/h2-15,29,31H,1H3,(H,30,33)
InChIKeyDKDRGVLDNSYRTC-UHFFFAOYSA-N
MW457.46 g/mol
LogP5.16
Rot. Bonds7

About N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide

N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide (PubChem CID 155092418) has the molecular formula C26H20FN3O4 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide
PubChem CID155092418
Molecular FormulaC26H20FN3O4
Molecular Weight457.46 g/mol
Exact Mass457.14
IUPAC NameN-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(O)c(C(=O)c2ccc(Nc3ccccc3NC(=O)c3ccncc3)cc2)c1F
InChIInChI=1S/C26H20FN3O4/c1-34-22-11-10-21(31)23(24(22)27)25(32)16-6-8-18(9-7-16)29-19-4-2-3-5-20(19)30-26(33)17-12-14-28-15-13-17/h2-15,29,31H,1H3,(H,30,33)
InChIKeyDKDRGVLDNSYRTC-UHFFFAOYSA-N
XLogP5.16
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.46
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(pyridine-4-carbonylamino)pyrrolidin-3-yl] 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoate
CID 54563041
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
N-(2-fluoro-3-methoxyphenyl)-4-methylbenzamide
CID 142437352
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide (CID 155092418) is N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide is COc1ccc(O)c(C(=O)c2ccc(Nc3ccccc3NC(=O)c3ccncc3)cc2)c1F.
What is the InChIKey of N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide?
The InChIKey is DKDRGVLDNSYRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4/c1-34-22-11-10-21(31)23(24(22)27)25(32)16-6-8-18(9-7-16)29-19-4-2-3-5-20(19)30-26(33)17-12-14-28-15-13-17/h2-15,29,31H,1H3,(H,30,33).
What are the key properties of N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide?
N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)anilino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 155092418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).