3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

C20H22N4O2 — CID 122275254

IUPAC3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-24-14-17(13-23-24)20-16(4-3-11-21-20)12-22-19(25)10-7-15-5-8-18(26-2)9-6-15/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3,(H,22,25)
InChIKeyTZAGLZFDVRQPNY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 122275254) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
PubChem CID122275254
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-24-14-17(13-23-24)20-16(4-3-11-21-20)12-22-19(25)10-7-15-5-8-18(26-2)9-6-15/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3,(H,22,25)
InChIKeyTZAGLZFDVRQPNY-UHFFFAOYSA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 119105613
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121022822
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122275349
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (CID 122275254) is 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2cccnc2-c2cnn(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is TZAGLZFDVRQPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-14-17(13-23-24)20-16(4-3-11-21-20)12-22-19(25)10-7-15-5-8-18(26-2)9-6-15/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 122275254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).