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

C18H18N4O2 — CID 122275224

IUPAC4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N4O2/c1-22-12-15(11-21-22)17-14(4-3-9-19-17)10-20-18(23)13-5-7-16(24-2)8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)
InChIKeyVOSYMOODJACRTF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.42
Rot. Bonds5

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

4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 122275224) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID122275224
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N4O2/c1-22-12-15(11-21-22)17-14(4-3-9-19-17)10-20-18(23)13-5-7-16(24-2)8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)
InChIKeyVOSYMOODJACRTF-UHFFFAOYSA-N
XLogP2.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 119105613
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 119105609
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 122275224) is 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is VOSYMOODJACRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-12-15(11-21-22)17-14(4-3-9-19-17)10-20-18(23)13-5-7-16(24-2)8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,23).
What are the key properties of 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 122275224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).