methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate

C12H15FN2O3 — CID 107358834

IUPACmethyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccnc1F)C(C)C
InChIInChI=1S/C12H15FN2O3/c1-7(2)9(12(17)18-3)15-11(16)8-5-4-6-14-10(8)13/h4-7,9H,1-3H3,(H,15,16)
InChIKeyLRYBFLXCSFNFDM-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.15
Rot. Bonds4

About methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate

methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 107358834) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID107358834
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccnc1F)C(C)C
InChIInChI=1S/C12H15FN2O3/c1-7(2)9(12(17)18-3)15-11(16)8-5-4-6-14-10(8)13/h4-7,9H,1-3H3,(H,15,16)
InChIKeyLRYBFLXCSFNFDM-UHFFFAOYSA-N
XLogP1.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.15
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 (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-3-methylbutanoate
CID 43408111
methyl (2S)-2-[(2-cyanobenzoyl)amino]-3-methylbutanoate
CID 134821296
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate (CID 107358834) is methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cccnc1F)C(C)C.
What is the InChIKey of methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is LRYBFLXCSFNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7(2)9(12(17)18-3)15-11(16)8-5-4-6-14-10(8)13/h4-7,9H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 254.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 107358834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).