N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide

C18H20FN3O — CID 113015884

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O/c19-15-7-5-14(6-8-15)18(23)21-16-9-10-17(20-13-16)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23)
InChIKeyWZXMNRWXUDQSSW-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.85
Rot. Bonds3

About N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide

N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide (PubChem CID 113015884) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
PubChem CID113015884
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O/c19-15-7-5-14(6-8-15)18(23)21-16-9-10-17(20-13-16)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23)
InChIKeyWZXMNRWXUDQSSW-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 47045704
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide (CID 113015884) is N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide is O=C(Nc1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is WZXMNRWXUDQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-7-5-14(6-8-15)18(23)21-16-9-10-17(20-13-16)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23).
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide?
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide has a molecular weight of 313.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113015884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).