N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide

C14H14FN3O — CID 64950848

IUPACN-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1ccncc1F
InChIInChI=1S/C14H14FN3O/c1-8-3-4-12(16)9(2)13(8)18-14(19)10-5-6-17-7-11(10)15/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyFCRDCUAFQPQHCH-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.67
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide

N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64950848) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64950848
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1ccncc1F
InChIInChI=1S/C14H14FN3O/c1-8-3-4-12(16)9(2)13(8)18-14(19)10-5-6-17-7-11(10)15/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyFCRDCUAFQPQHCH-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951439
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 81315197
N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide
CID 105062979
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363
N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide (CID 64950848) is N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide is Cc1ccc(N)c(C)c1NC(=O)c1ccncc1F.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is FCRDCUAFQPQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-3-4-12(16)9(2)13(8)18-14(19)10-5-6-17-7-11(10)15/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide?
N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).