(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide

C20H23N5O — CID 129398862

IUPAC(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
SMILESCCc1ccccc1NC(=O)[C@H](C)Nc1cnn(Cc2ccccn2)c1
InChIInChI=1S/C20H23N5O/c1-3-16-8-4-5-10-19(16)24-20(26)15(2)23-18-12-22-25(14-18)13-17-9-6-7-11-21-17/h4-12,14-15,23H,3,13H2,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyQQXFDPVTNJNZDW-HNNXBMFYSA-N
MW349.44 g/mol
LogP3.33
Rot. Bonds7

About (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide

(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide (PubChem CID 129398862) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
PubChem CID129398862
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
SMILESCCc1ccccc1NC(=O)[C@H](C)Nc1cnn(Cc2ccccn2)c1
InChIInChI=1S/C20H23N5O/c1-3-16-8-4-5-10-19(16)24-20(26)15(2)23-18-12-22-25(14-18)13-17-9-6-7-11-21-17/h4-12,14-15,23H,3,13H2,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyQQXFDPVTNJNZDW-HNNXBMFYSA-N
XLogP3.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide with MolForge

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Related Compounds

(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
CID 99816503
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 136534909
3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 51104194
2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
CID 75507073
1-(5-heptan-3-yl-1H-pyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 166226441
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346
4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 119047349
N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 86813351
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 75507095
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide?
The IUPAC name of (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide (CID 129398862) is (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide is CCc1ccccc1NC(=O)[C@H](C)Nc1cnn(Cc2ccccn2)c1.
What is the InChIKey of (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide?
The InChIKey is QQXFDPVTNJNZDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-16-8-4-5-10-19(16)24-20(26)15(2)23-18-12-22-25(14-18)13-17-9-6-7-11-21-17/h4-12,14-15,23H,3,13H2,1-2H3,(H,24,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide?
(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide has a molecular weight of 349.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide is sourced from PubChem (CID 129398862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).