2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide

C25H23FN2O4 — CID 118325395

IUPAC2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ncccc3C=O)ccc2OCC2CC2)cc1F
InChIInChI=1S/C25H23FN2O4/c1-31-23-8-6-17(11-21(23)26)13-28-25(30)20-12-18(24-19(14-29)3-2-10-27-24)7-9-22(20)32-15-16-4-5-16/h2-3,6-12,14,16H,4-5,13,15H2,1H3,(H,28,30)
InChIKeyQGQPYJCYNNIJCQ-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.43
Rot. Bonds9

About 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide (PubChem CID 118325395) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide
PubChem CID118325395
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ncccc3C=O)ccc2OCC2CC2)cc1F
InChIInChI=1S/C25H23FN2O4/c1-31-23-8-6-17(11-21(23)26)13-28-25(30)20-12-18(24-19(14-29)3-2-10-27-24)7-9-22(20)32-15-16-4-5-16/h2-3,6-12,14,16H,4-5,13,15H2,1H3,(H,28,30)
InChIKeyQGQPYJCYNNIJCQ-UHFFFAOYSA-N
XLogP4.43
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.43
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

2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
2-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 9113215
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 14555282
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060384
N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368063
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368202
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide (CID 118325395) is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide is COc1ccc(CNC(=O)c2cc(-c3ncccc3C=O)ccc2OCC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide?
The InChIKey is QGQPYJCYNNIJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-23-8-6-17(11-21(23)26)13-28-25(30)20-12-18(24-19(14-29)3-2-10-27-24)7-9-22(20)32-15-16-4-5-16/h2-3,6-12,14,16H,4-5,13,15H2,1H3,(H,28,30).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide?
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide has a molecular weight of 434.47 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)benzamide is sourced from PubChem (CID 118325395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).