methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate

C17H16F2N2O3 — CID 71863212

IUPACmethyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(C)c(F)cc1F)c1cccc(C)n1
InChIInChI=1S/C17H16F2N2O3/c1-10-7-12(14(19)8-13(10)18)17(23)21(9-16(22)24-3)15-6-4-5-11(2)20-15/h4-8H,9H2,1-3H3
InChIKeyMGHURJHDCPSTRN-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.80
Rot. Bonds4

About methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate

methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate (PubChem CID 71863212) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate
PubChem CID71863212
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Namemethyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(C)c(F)cc1F)c1cccc(C)n1
InChIInChI=1S/C17H16F2N2O3/c1-10-7-12(14(19)8-13(10)18)17(23)21(9-16(22)24-3)15-6-4-5-11(2)20-15/h4-8H,9H2,1-3H3
InChIKeyMGHURJHDCPSTRN-UHFFFAOYSA-N
XLogP2.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Lasmiditan
CID 11610526
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
4-fluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 10308815
N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 146420010
4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420181
2,4-difluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420182
Benzamide, 2,4,6-trifluoro-N-(6-((1-methyl-4-piperidinyl)carbonyl)-2-pyridinyl)-, hydrochloride (1:1)
CID 17980336
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-morpholin-4-yl-2-phenylpyridine-3-carboxamide
CID 44389662
2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809939
Ethyl 2-benzamido-3,3,3-trifluoro-2-[(6-methyl-2-pyridyl)amino]propionate
CID 570321
Methyl 3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-2-[(6-methylpyridin-2-yl)amino]propanoate
CID 3493368
Methyl 2-(benzoylamino)-2-[(4,6-dimethylpyridin-2-yl)amino]-3,3,3-trifluoropropanoate
CID 3559132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate (CID 71863212) is methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate is COC(=O)CN(C(=O)c1cc(C)c(F)cc1F)c1cccc(C)n1.
What is the InChIKey of methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate?
The InChIKey is MGHURJHDCPSTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-7-12(14(19)8-13(10)18)17(23)21(9-16(22)24-3)15-6-4-5-11(2)20-15/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate?
methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate has a molecular weight of 334.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-difluoro-5-methylbenzoyl)-(6-methyl-2-pyridinyl)amino]acetate is sourced from PubChem (CID 71863212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).