6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

C23H19BrN4O — CID 46480790

IUPAC6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C23H19BrN4O/c1-16-20(10-11-22(26-16)17-7-4-8-19(24)14-17)23(29)27-21-9-3-2-6-18(21)15-28-13-5-12-25-28/h2-14H,15H2,1H3,(H,27,29)
InChIKeyQHLNUEMFGJXPCD-UHFFFAOYSA-N
MW447.34 g/mol
LogP5.32
Rot. Bonds5

About 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 46480790) has the molecular formula C23H19BrN4O and a molecular weight of 447.34 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID46480790
Molecular FormulaC23H19BrN4O
Molecular Weight447.34 g/mol
Exact Mass446.07
IUPAC Name6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C23H19BrN4O/c1-16-20(10-11-22(26-16)17-7-4-8-19(24)14-17)23(29)27-21-9-3-2-6-18(21)15-28-13-5-12-25-28/h2-14H,15H2,1H3,(H,27,29)
InChIKeyQHLNUEMFGJXPCD-UHFFFAOYSA-N
XLogP5.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
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6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
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6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
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6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 30751977
2-nitro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 43068749
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 46480790) is 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QHLNUEMFGJXPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O/c1-16-20(10-11-22(26-16)17-7-4-8-19(24)14-17)23(29)27-21-9-3-2-6-18(21)15-28-13-5-12-25-28/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 447.34 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46480790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).