methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate

C17H18F2N2O3 — CID 133419616

IUPACmethyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2cc(C)ccc2OC(F)F)nc1C
InChIInChI=1S/C17H18F2N2O3/c1-10-4-6-14(24-17(18)19)12(8-10)9-20-15-7-5-13(11(2)21-15)16(22)23-3/h4-8,17H,9H2,1-3H3,(H,20,21)
InChIKeyIZXBBNRNKVYGFM-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.70
Rot. Bonds6

About methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate

methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate (PubChem CID 133419616) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate
PubChem CID133419616
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Namemethyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2cc(C)ccc2OC(F)F)nc1C
InChIInChI=1S/C17H18F2N2O3/c1-10-4-6-14(24-17(18)19)12(8-10)9-20-15-7-5-13(11(2)21-15)16(22)23-3/h4-8,17H,9H2,1-3H3,(H,20,21)
InChIKeyIZXBBNRNKVYGFM-UHFFFAOYSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 133491052
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
3-[[2-(difluoromethoxy)-5-methylphenyl]methylcarbamoylamino]propanoic acid
CID 122006016
methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
CID 133391365
5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82683374
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
CID 103880124
3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide
CID 120611597
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate (CID 133419616) is methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NCc2cc(C)ccc2OC(F)F)nc1C.
What is the InChIKey of methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate?
The InChIKey is IZXBBNRNKVYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10-4-6-14(24-17(18)19)12(8-10)9-20-15-7-5-13(11(2)21-15)16(22)23-3/h4-8,17H,9H2,1-3H3,(H,20,21).
What are the key properties of methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate?
methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133419616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).