N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide

C19H20N4O2 — CID 42291769

IUPACN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C19H20N4O2/c1-14-5-2-3-7-17(14)25-19-16(6-4-10-20-19)13-21-18(24)9-8-15-11-22-23-12-15/h2-7,10-12H,8-9,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyZIVOEBXCNVUGIC-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.15
Rot. Bonds7

About N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide

N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 42291769) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID42291769
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C19H20N4O2/c1-14-5-2-3-7-17(14)25-19-16(6-4-10-20-19)13-21-18(24)9-8-15-11-22-23-12-15/h2-7,10-12H,8-9,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyZIVOEBXCNVUGIC-UHFFFAOYSA-N
XLogP3.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 25288420
2-(2H-indazol-3-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 26392610
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 56740696
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56751374
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
2-(2-ethylimidazol-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56760557
3-[2-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45243417

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 42291769) is N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide is Cc1ccccc1Oc1ncccc1CNC(=O)CCc1cn[nH]c1.
What is the InChIKey of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is ZIVOEBXCNVUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-5-2-3-7-17(14)25-19-16(6-4-10-20-19)13-21-18(24)9-8-15-11-22-23-12-15/h2-7,10-12H,8-9,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 336.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 42291769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).