N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide

C13H12FN3O — CID 115268417

IUPACN-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1ccc(N)nc1
InChIInChI=1S/C13H12FN3O/c1-17(11-6-7-12(15)16-8-11)13(18)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,16)
InChIKeyVFFKLOODATWPFM-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.08
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide

N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide (PubChem CID 115268417) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
PubChem CID115268417
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1ccc(N)nc1
InChIInChI=1S/C13H12FN3O/c1-17(11-6-7-12(15)16-8-11)13(18)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,16)
InChIKeyVFFKLOODATWPFM-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-N,3,4-trimethylbenzamide
CID 115268424
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115274571
6-amino-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937214
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-(6-amino-3-pyridinyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115274565
N-(6-amino-3-pyridinyl)-N-methyl-1H-indole-3-carboxamide
CID 115274564
methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
CID 115268442
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419223
N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide (CID 115268417) is N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)c1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide?
The InChIKey is VFFKLOODATWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-17(11-6-7-12(15)16-8-11)13(18)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,16).
What are the key properties of N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide?
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide has a molecular weight of 245.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 115268417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).