N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide

C12H11FN4O — CID 63971187

IUPACN-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(F)nc2)n1
InChIInChI=1S/C12H11FN4O/c1-7-5-8(2)16-12(15-7)17-11(18)9-3-4-10(13)14-6-9/h3-6H,1-2H3,(H,15,16,17,18)
InChIKeyBFRCOFDFFYCKMK-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.88
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide (PubChem CID 63971187) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
PubChem CID63971187
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(F)nc2)n1
InChIInChI=1S/C12H11FN4O/c1-7-5-8(2)16-12(15-7)17-11(18)9-3-4-10(13)14-6-9/h3-6H,1-2H3,(H,15,16,17,18)
InChIKeyBFRCOFDFFYCKMK-UHFFFAOYSA-N
XLogP1.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.88
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

N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973532
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
CID 107676575
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide (CID 63971187) is N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc(F)nc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide?
The InChIKey is BFRCOFDFFYCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-7-5-8(2)16-12(15-7)17-11(18)9-3-4-10(13)14-6-9/h3-6H,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63971187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).