6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide

C15H14BrF2N3O2 — CID 75524301

IUPAC6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NCc2ccc(OC(F)F)c(Br)c2)n1
InChIInChI=1S/C15H14BrF2N3O2/c1-19-14(22)11-3-2-4-13(21-11)20-8-9-5-6-12(10(16)7-9)23-15(17)18/h2-7,15H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyWGTQQPSUZMSUTP-UHFFFAOYSA-N
MW386.20 g/mol
LogP3.42
Rot. Bonds6

About 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide

6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 75524301) has the molecular formula C15H14BrF2N3O2 and a molecular weight of 386.20 g/mol. Its IUPAC name is 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide
PubChem CID75524301
Molecular FormulaC15H14BrF2N3O2
Molecular Weight386.20 g/mol
Exact Mass385.02
IUPAC Name6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NCc2ccc(OC(F)F)c(Br)c2)n1
InChIInChI=1S/C15H14BrF2N3O2/c1-19-14(22)11-3-2-4-13(21-11)20-8-9-5-6-12(10(16)7-9)23-15(17)18/h2-7,15H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyWGTQQPSUZMSUTP-UHFFFAOYSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.20
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 75458697
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
N-[2-(difluoromethoxy)phenyl]-6-(methylamino)pyridine-2-carboxamide
CID 62238431
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133342969
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
CID 122047818
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133329611
N-methyl-6-(naphthalen-2-ylmethylamino)pyridazine-3-carboxamide
CID 133328883
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 63052142

Frequently Asked Questions

What is the IUPAC name of 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide (CID 75524301) is 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(NCc2ccc(OC(F)F)c(Br)c2)n1.
What is the InChIKey of 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is WGTQQPSUZMSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3O2/c1-19-14(22)11-3-2-4-13(21-11)20-8-9-5-6-12(10(16)7-9)23-15(17)18/h2-7,15H,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide?
6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 386.20 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 75524301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).