methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate

C13H17FN2O3 — CID 60565397

IUPACmethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-8(2)6-10(13(18)19-3)16-12(17)9-4-5-15-11(14)7-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,17)
InChIKeyRWYGKFOOAGFOIK-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate (PubChem CID 60565397) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
PubChem CID60565397
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-8(2)6-10(13(18)19-3)16-12(17)9-4-5-15-11(14)7-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,17)
InChIKeyRWYGKFOOAGFOIK-UHFFFAOYSA-N
XLogP1.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl (2S)-2-[(2-fluoropyridine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 103863386
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766
methyl (2R)-2-[(3-bromobenzoyl)amino]-4-methylpentanoate
CID 40570434
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate (CID 60565397) is methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccnc(F)c1.
What is the InChIKey of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate?
The InChIKey is RWYGKFOOAGFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(2)6-10(13(18)19-3)16-12(17)9-4-5-15-11(14)7-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate has a molecular weight of 268.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 60565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).