butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide

C20H28FN3O3 — CID 145267444

IUPACbutane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide
SMILESCCCC.CNC=O.Cc1cc(C(N)=O)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C14H13FN2O2.C4H10.C2H5NO/c1-9-6-11(13(16)18)8-17(14(9)19)7-10-2-4-12(15)5-3-10;1-3-4-2;1-3-2-4/h2-6,8H,7H2,1H3,(H2,16,18);3-4H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyMLTPEFPLGZRAPZ-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.61
Rot. Bonds5

About butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide

butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide (PubChem CID 145267444) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide.

Molecular Properties

Compound Namebutane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide
PubChem CID145267444
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Namebutane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide
SMILESCCCC.CNC=O.Cc1cc(C(N)=O)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C14H13FN2O2.C4H10.C2H5NO/c1-9-6-11(13(16)18)8-17(14(9)19)7-10-2-4-12(15)5-3-10;1-3-4-2;1-3-2-4/h2-6,8H,7H2,1H3,(H2,16,18);3-4H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyMLTPEFPLGZRAPZ-UHFFFAOYSA-N
XLogP2.61
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide
CID 145267445
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 83133649
propyl 4-[(3-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]benzoate
CID 84570885
1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
CID 3231713
ethyl 4-[(3-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]benzoate
CID 84570884
N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxyacetamide
CID 6488633
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266
1-(bromomethyl)-4-fluorobenzene;methyl 5-bromo-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate;methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate
CID 157164984
1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 118002286

Frequently Asked Questions

What is the IUPAC name of butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide?
The IUPAC name of butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide (CID 145267444) is butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide.
What is the SMILES notation for butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide?
The canonical SMILES for butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide is CCCC.CNC=O.Cc1cc(C(N)=O)cn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide?
The InChIKey is MLTPEFPLGZRAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2.C4H10.C2H5NO/c1-9-6-11(13(16)18)8-17(14(9)19)7-10-2-4-12(15)5-3-10;1-3-4-2;1-3-2-4/h2-6,8H,7H2,1H3,(H2,16,18);3-4H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide?
butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide has a molecular weight of 377.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide;N-methylformamide is sourced from PubChem (CID 145267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).