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

C18H17FN4O2 — CID 121022353

IUPAC3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-23-11-15(10-22-23)14-5-12(7-20-9-14)8-21-18(24)13-3-4-17(25-2)16(19)6-13/h3-7,9-11H,8H2,1-2H3,(H,21,24)
InChIKeyNZZLCMPOWNYDTR-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.56
Rot. Bonds5

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

3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 121022353) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID121022353
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-23-11-15(10-22-23)14-5-12(7-20-9-14)8-21-18(24)13-3-4-17(25-2)16(19)6-13/h3-7,9-11H,8H2,1-2H3,(H,21,24)
InChIKeyNZZLCMPOWNYDTR-UHFFFAOYSA-N
XLogP2.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250
4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105098
2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196274
4-(4-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 121196309
2-(2-chloro-6-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 119105107
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
CID 121196333
(E)-3-(4-methoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 121196422

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 121022353) is 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is COc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is NZZLCMPOWNYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23-11-15(10-22-23)14-5-12(7-20-9-14)8-21-18(24)13-3-4-17(25-2)16(19)6-13/h3-7,9-11H,8H2,1-2H3,(H,21,24).
What are the key properties of 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 340.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 121022353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).