N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide

C15H16FN3O — CID 115745290

IUPACN-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C15H16FN3O/c1-10-8-11(16)4-6-13(10)15(20)18-12-5-7-14(17-9-12)19(2)3/h4-9H,1-3H3,(H,18,20)
InChIKeyRIZWXWNATRVKPF-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.85
Rot. Bonds3

About N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide

N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide (PubChem CID 115745290) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
PubChem CID115745290
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C15H16FN3O/c1-10-8-11(16)4-6-13(10)15(20)18-12-5-7-14(17-9-12)19(2)3/h4-9H,1-3H3,(H,18,20)
InChIKeyRIZWXWNATRVKPF-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 62512980
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
CID 115745419

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide (CID 115745290) is N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide?
The InChIKey is RIZWXWNATRVKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-8-11(16)4-6-13(10)15(20)18-12-5-7-14(17-9-12)19(2)3/h4-9H,1-3H3,(H,18,20).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide?
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).