methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate

C15H14FN3O3 — CID 134008874

IUPACmethyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C15H14FN3O3/c1-22-13(20)9-18-15(21)10-5-4-8-17-14(10)19-12-7-3-2-6-11(12)16/h2-8H,9H2,1H3,(H,17,19)(H,18,21)
InChIKeyPNJAEHFXXSKRSP-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.87
Rot. Bonds5

About methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate

methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate (PubChem CID 134008874) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
PubChem CID134008874
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Namemethyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C15H14FN3O3/c1-22-13(20)9-18-15(21)10-5-4-8-17-14(10)19-12-7-3-2-6-11(12)16/h2-8H,9H2,1H3,(H,17,19)(H,18,21)
InChIKeyPNJAEHFXXSKRSP-UHFFFAOYSA-N
XLogP1.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
CID 47142435
2-(2-fluoroanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
CID 90093021
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 120946923
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate (CID 134008874) is methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate?
The InChIKey is PNJAEHFXXSKRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-22-13(20)9-18-15(21)10-5-4-8-17-14(10)19-12-7-3-2-6-11(12)16/h2-8H,9H2,1H3,(H,17,19)(H,18,21).
What are the key properties of methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate?
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate has a molecular weight of 303.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 134008874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).