N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide

C24H23FN2O4 — CID 146301395

IUPACN-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cccc(C(F)OC)c3C)c2C)ncc1C=O
InChIInChI=1S/C24H23FN2O4/c1-14-17(7-5-9-19(14)23(25)31-4)18-8-6-10-20(15(18)2)27-24(29)21-11-22(30-3)16(13-28)12-26-21/h5-13,23H,1-4H3,(H,27,29)
InChIKeyMSSVTSSVFMYGBG-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.05
Rot. Bonds7

About N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide

N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide (PubChem CID 146301395) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide
PubChem CID146301395
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cccc(C(F)OC)c3C)c2C)ncc1C=O
InChIInChI=1S/C24H23FN2O4/c1-14-17(7-5-9-19(14)23(25)31-4)18-8-6-10-20(15(18)2)27-24(29)21-11-22(30-3)16(13-28)12-26-21/h5-13,23H,1-4H3,(H,27,29)
InChIKeyMSSVTSSVFMYGBG-UHFFFAOYSA-N
XLogP5.05
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-4-methoxy-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 155393409
5-bromo-4-methoxy-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 155393492
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 153331952
4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide
CID 167666897
5-formyl-N-[3-[3-[2-(5-formyl-4-methyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide
CID 158592210
5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-N-[3-[3-[[5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 155385006
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
CID 175513110
(3S)-1-[[6-[[3-[3-[[5-[[(3S)-3-formylpyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-4-methoxy-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
CID 155393510
N-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboxamide
CID 171489699
4-chloro-N-[3-[3-[(Z)-2-fluoro-2-[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenyl]ethenyl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 146301203
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 157444418

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide (CID 146301395) is N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3cccc(C(F)OC)c3C)c2C)ncc1C=O.
What is the InChIKey of N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide?
The InChIKey is MSSVTSSVFMYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-14-17(7-5-9-19(14)23(25)31-4)18-8-6-10-20(15(18)2)27-24(29)21-11-22(30-3)16(13-28)12-26-21/h5-13,23H,1-4H3,(H,27,29).
What are the key properties of N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide?
N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 146301395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).