2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

C18H17BrN4O2 — CID 121196274

IUPAC2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2cncc(-c3cnn(C)c3)c2)c1
InChIInChI=1S/C18H17BrN4O2/c1-23-11-14(10-22-23)13-5-12(7-20-9-13)8-21-18(24)16-6-15(25-2)3-4-17(16)19/h3-7,9-11H,8H2,1-2H3,(H,21,24)
InChIKeyLHCHAWCQJYSQCN-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.18
Rot. Bonds5

About 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 121196274) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID121196274
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2cncc(-c3cnn(C)c3)c2)c1
InChIInChI=1S/C18H17BrN4O2/c1-23-11-14(10-22-23)13-5-12(7-20-9-13)8-21-18(24)16-6-15(25-2)3-4-17(16)19/h3-7,9-11H,8H2,1-2H3,(H,21,24)
InChIKeyLHCHAWCQJYSQCN-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 154576769
(E)-3-(4-methoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 121196422
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022353
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
CID 86968645
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 121196274) is 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is COc1ccc(Br)c(C(=O)NCc2cncc(-c3cnn(C)c3)c2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is LHCHAWCQJYSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-23-11-14(10-22-23)13-5-12(7-20-9-13)8-21-18(24)16-6-15(25-2)3-4-17(16)19/h3-7,9-11H,8H2,1-2H3,(H,21,24).
What are the key properties of 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 401.26 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 121196274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).