methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate

C13H13FN2O3 — CID 75483063

IUPACmethyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNc2ncccc2F)oc1C
InChIInChI=1S/C13H13FN2O3/c1-8-10(13(17)18-2)6-9(19-8)7-16-12-11(14)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyOBHYWICJPNCYSJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.52
Rot. Bonds4

About methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 75483063) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID75483063
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Namemethyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNc2ncccc2F)oc1C
InChIInChI=1S/C13H13FN2O3/c1-8-10(13(17)18-2)6-9(19-8)7-16-12-11(14)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyOBHYWICJPNCYSJ-UHFFFAOYSA-N
XLogP2.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60761601
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
CID 81401586
3-fluoro-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 62734741
methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222413
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[(3-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222423
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(2-chloro-6-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 66252438
methyl 5-[(4-chloro-2-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 107631953
methyl 5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 63794276
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 75483063) is methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNc2ncccc2F)oc1C.
What is the InChIKey of methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is OBHYWICJPNCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-8-10(13(17)18-2)6-9(19-8)7-16-12-11(14)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 75483063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).