6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide

C20H23F2N3O2 — CID 162691550

IUPAC6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide
SMILESCOc1cc(Nc2cc(F)cc(F)c2)nc(C(=O)NC2CCC2(C)C)c1C
InChIInChI=1S/C20H23F2N3O2/c1-11-15(27-4)10-17(23-14-8-12(21)7-13(22)9-14)25-18(11)19(26)24-16-5-6-20(16,2)3/h7-10,16H,5-6H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLOBQGYJPNXQNEM-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.34
Rot. Bonds5

About 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide

6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide (PubChem CID 162691550) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide
PubChem CID162691550
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide
SMILESCOc1cc(Nc2cc(F)cc(F)c2)nc(C(=O)NC2CCC2(C)C)c1C
InChIInChI=1S/C20H23F2N3O2/c1-11-15(27-4)10-17(23-14-8-12(21)7-13(22)9-14)25-18(11)19(26)24-16-5-6-20(16,2)3/h7-10,16H,5-6H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLOBQGYJPNXQNEM-UHFFFAOYSA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide
CID 155352178
5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155341280
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
CID 155350378
5-(3,5-difluoroanilino)-N-spiro[3.4]octan-3-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 155354732
N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide
CID 155350650
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 155341435
6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 155341439
6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
CID 155727924
6-(3,5-difluoroanilino)-N-(2,3-dimethylbutan-2-yl)-3-methoxypyridine-2-carboxamide
CID 155350434
6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 155341112
5-[(2,6-difluoro-4-pyridinyl)amino]-N-spiro[3.4]octan-3-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 164822687
2-[(2,6-difluoro-4-pyridinyl)-(2-ethynoxyacetyl)amino]-N-(2,2-dimethylcyclobutyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 146644944

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide (CID 162691550) is 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide is COc1cc(Nc2cc(F)cc(F)c2)nc(C(=O)NC2CCC2(C)C)c1C.
What is the InChIKey of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide?
The InChIKey is LOBQGYJPNXQNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-11-15(27-4)10-17(23-14-8-12(21)7-13(22)9-14)25-18(11)19(26)24-16-5-6-20(16,2)3/h7-10,16H,5-6H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide?
6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 162691550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).