N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H14FN3O2 — CID 159706557

IUPACN-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1nc(F)ccc1CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C14H14FN3O2/c1-9-10(3-5-12(15)17-9)7-16-14(20)11-4-6-13(19)18(2)8-11/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyMYHBTNPPFKLMRZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.16
Rot. Bonds3

About N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 159706557) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID159706557
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1nc(F)ccc1CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C14H14FN3O2/c1-9-10(3-5-12(15)17-9)7-16-14(20)11-4-6-13(19)18(2)8-11/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyMYHBTNPPFKLMRZ-UHFFFAOYSA-N
XLogP1.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.16
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

1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 56744678
N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
CID 178011179
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 110730530
N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111115756
1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
CID 95935310
N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 77089921
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 126803241
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
N'-(2-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
CID 118039703
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 159706557) is N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cc1nc(F)ccc1CNC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is MYHBTNPPFKLMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-10(3-5-12(15)17-9)7-16-14(20)11-4-6-13(19)18(2)8-11/h3-6,8H,7H2,1-2H3,(H,16,20).
What are the key properties of N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 159706557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).