5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide

C18H20BrN3O — CID 109196891

IUPAC5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C18H20BrN3O/c19-14-5-7-15(8-6-14)21-18(23)17-10-9-16(13-20-17)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23)
InChIKeyGVGGGIPHXKJFQM-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.48
Rot. Bonds3

About 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide (PubChem CID 109196891) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
PubChem CID109196891
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C18H20BrN3O/c19-14-5-7-15(8-6-14)21-18(23)17-10-9-16(13-20-17)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23)
InChIKeyGVGGGIPHXKJFQM-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
CID 84577750

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide (CID 109196891) is 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide?
The InChIKey is GVGGGIPHXKJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-14-5-7-15(8-6-14)21-18(23)17-10-9-16(13-20-17)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23).
What are the key properties of 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).