N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C18H17BrN4O2 — CID 75394297

IUPACN-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ncc1Br
InChIInChI=1S/C18H17BrN4O2/c1-11-8-12(2)23(22-11)14-6-4-13(5-7-14)18(24)21-17-9-16(25-3)15(19)10-20-17/h4-10H,1-3H3,(H,20,21,24)
InChIKeyBCYCMAODDXKZQB-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.91
Rot. Bonds4

About N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 75394297) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID75394297
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ncc1Br
InChIInChI=1S/C18H17BrN4O2/c1-11-8-12(2)23(22-11)14-6-4-13(5-7-14)18(24)21-17-9-16(25-3)15(19)10-20-17/h4-10H,1-3H3,(H,20,21,24)
InChIKeyBCYCMAODDXKZQB-UHFFFAOYSA-N
XLogP3.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide
CID 119041851
N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26877253
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471494
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
methyl 4-[(5-bromo-4-methoxy-2-pyridinyl)amino]-4-oxobutanoate
CID 89443933

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 75394297) is N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is COc1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is BCYCMAODDXKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-11-8-12(2)23(22-11)14-6-4-13(5-7-14)18(24)21-17-9-16(25-3)15(19)10-20-17/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 401.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 75394297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).