N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide

C16H16BrClN2O — CID 81229401

IUPACN-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnc(C)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c1-3-15(11-4-6-12(17)7-5-11)20-16(21)13-9-19-10(2)8-14(13)18/h4-9,15H,3H2,1-2H3,(H,20,21)
InChIKeyYUYGVXVBGIHFLB-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide

N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81229401) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81229401
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnc(C)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c1-3-15(11-4-6-12(17)7-5-11)20-16(21)13-9-19-10(2)8-14(13)18/h4-9,15H,3H2,1-2H3,(H,20,21)
InChIKeyYUYGVXVBGIHFLB-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
CID 106550859

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide (CID 81229401) is N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide is CCC(NC(=O)c1cnc(C)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is YUYGVXVBGIHFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-3-15(11-4-6-12(17)7-5-11)20-16(21)13-9-19-10(2)8-14(13)18/h4-9,15H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide?
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 367.67 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81229401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).