N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide

C18H20BrN3O — CID 109182834

IUPACN-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)cc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-5-6-14(11-16(13)19)21-18(23)17-8-7-15(12-20-17)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)
InChIKeyLGKZCAKYZIZPQL-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.40
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide

N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 109182834) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
PubChem CID109182834
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)cc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-5-6-14(11-16(13)19)21-18(23)17-8-7-15(12-20-17)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)
InChIKeyLGKZCAKYZIZPQL-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide (CID 109182834) is N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is LGKZCAKYZIZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-5-6-14(11-16(13)19)21-18(23)17-8-7-15(12-20-17)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).