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

C20H22N4O4 — CID 122275363

IUPAC2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)c(OC)c1OC
InChIInChI=1S/C20H22N4O4/c1-24-12-14(11-23-24)17-13(6-5-9-21-17)10-22-20(25)15-7-8-16(26-2)19(28-4)18(15)27-3/h5-9,11-12H,10H2,1-4H3,(H,22,25)
InChIKeyOURHGDSHRYWUOT-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.44
Rot. Bonds7

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

2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 122275363) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID122275363
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)c(OC)c1OC
InChIInChI=1S/C20H22N4O4/c1-24-12-14(11-23-24)17-13(6-5-9-21-17)10-22-20(25)15-7-8-16(26-2)19(28-4)18(15)27-3/h5-9,11-12H,10H2,1-4H3,(H,22,25)
InChIKeyOURHGDSHRYWUOT-UHFFFAOYSA-N
XLogP2.44
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 119105609
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 119105613

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 122275363) is 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is OURHGDSHRYWUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-24-12-14(11-23-24)17-13(6-5-9-21-17)10-22-20(25)15-7-8-16(26-2)19(28-4)18(15)27-3/h5-9,11-12H,10H2,1-4H3,(H,22,25).
What are the key properties of 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 122275363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).