6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide

C19H22F2N2O2 — CID 167575552

IUPAC6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Cc2cc(F)cc(F)c2)nc1C(=O)NCC(C)(C)C
InChIInChI=1S/C19H22F2N2O2/c1-19(2,3)11-22-18(24)17-16(25-4)6-5-15(23-17)9-12-7-13(20)10-14(21)8-12/h5-8,10H,9,11H2,1-4H3,(H,22,24)
InChIKeyGMBJBEOFIFLZHZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.74
Rot. Bonds5

About 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide

6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide (PubChem CID 167575552) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide
PubChem CID167575552
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Cc2cc(F)cc(F)c2)nc1C(=O)NCC(C)(C)C
InChIInChI=1S/C19H22F2N2O2/c1-19(2,3)11-22-18(24)17-16(25-4)6-5-15(23-17)9-12-7-13(20)10-14(21)8-12/h5-8,10H,9,11H2,1-4H3,(H,22,24)
InChIKeyGMBJBEOFIFLZHZ-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide
CID 155350454
6-(3,5-difluoroanilino)-N-(2,3-dimethylbutan-2-yl)-3-methoxypyridine-2-carboxamide
CID 155350434
1-(2,2-dimethylpropyl)-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775671
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide
CID 134212806
N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
CID 155350561
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
3-(3-aminoprop-1-ynyl)-N-(2,2-dimethylpropyl)-4-methoxybenzamide
CID 61168070
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 50956881

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide?
The IUPAC name of 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide (CID 167575552) is 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide is COc1ccc(Cc2cc(F)cc(F)c2)nc1C(=O)NCC(C)(C)C.
What is the InChIKey of 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide?
The InChIKey is GMBJBEOFIFLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-19(2,3)11-22-18(24)17-16(25-4)6-5-15(23-17)9-12-7-13(20)10-14(21)8-12/h5-8,10H,9,11H2,1-4H3,(H,22,24).
What are the key properties of 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide?
6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluorophenyl)methyl]-N-(2,2-dimethylpropyl)-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 167575552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).