N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide

C16H16BrClN2O — CID 62000992

IUPACN-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-11(2)20(10-12-6-4-3-5-7-12)16(21)14-8-13(17)9-19-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyPPYKCYPNPGGIDW-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.55
Rot. Bonds4

About N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 62000992) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
PubChem CID62000992
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-11(2)20(10-12-6-4-3-5-7-12)16(21)14-8-13(17)9-19-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyPPYKCYPNPGGIDW-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 113232541
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide (CID 62000992) is N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is PPYKCYPNPGGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11(2)20(10-12-6-4-3-5-7-12)16(21)14-8-13(17)9-19-15(14)18/h3-9,11H,10H2,1-2H3.
What are the key properties of N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 367.67 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62000992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).