N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide

C20H22N4O2 — CID 121196250

IUPACN-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-19-6-4-16(5-7-19)20(25)22-10-15-8-17(11-21-9-15)18-12-23-24(3)13-18/h4-9,11-14H,10H2,1-3H3,(H,22,25)
InChIKeyNWHDDMYJYYUVHB-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.20
Rot. Bonds6

About N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide

N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 121196250) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
PubChem CID121196250
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-19-6-4-16(5-7-19)20(25)22-10-15-8-17(11-21-9-15)18-12-23-24(3)13-18/h4-9,11-14H,10H2,1-3H3,(H,22,25)
InChIKeyNWHDDMYJYYUVHB-UHFFFAOYSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide 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

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897
4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105098
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-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196274
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
(E)-3-(4-methoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 121196422
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 121196479
1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 121196495

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide (CID 121196250) is N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1.
What is the InChIKey of N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is NWHDDMYJYYUVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)26-19-6-4-16(5-7-19)20(25)22-10-15-8-17(11-21-9-15)18-12-23-24(3)13-18/h4-9,11-14H,10H2,1-3H3,(H,22,25).
What are the key properties of N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 121196250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).