2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide

C20H23N5O2 — CID 173044803

IUPAC2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide
SMILESCn1cc(-c2cccc(OCCNC(=O)C(C)(N)c3ccccn3)c2)cn1
InChIInChI=1S/C20H23N5O2/c1-20(21,18-8-3-4-9-22-18)19(26)23-10-11-27-17-7-5-6-15(12-17)16-13-24-25(2)14-16/h3-9,12-14H,10-11,21H2,1-2H3,(H,23,26)
InChIKeyWCIOVLRLNIXUBG-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.85
Rot. Bonds7

About 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide

2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide (PubChem CID 173044803) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide
PubChem CID173044803
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide
SMILESCn1cc(-c2cccc(OCCNC(=O)C(C)(N)c3ccccn3)c2)cn1
InChIInChI=1S/C20H23N5O2/c1-20(21,18-8-3-4-9-22-18)19(26)23-10-11-27-17-7-5-6-15(12-17)16-13-24-25(2)14-16/h3-9,12-14H,10-11,21H2,1-2H3,(H,23,26)
InChIKeyWCIOVLRLNIXUBG-UHFFFAOYSA-N
XLogP1.85
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1,2-oxazole-5-carboxamide
CID 91386336
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91532617
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 90740732
2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 90926280
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91251709
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486
(2R)-4,4-difluoro-1-methyl-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91157958
N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine
CID 173096284
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide?
The IUPAC name of 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide (CID 173044803) is 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide is Cn1cc(-c2cccc(OCCNC(=O)C(C)(N)c3ccccn3)c2)cn1.
What is the InChIKey of 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide?
The InChIKey is WCIOVLRLNIXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(21,18-8-3-4-9-22-18)19(26)23-10-11-27-17-7-5-6-15(12-17)16-13-24-25(2)14-16/h3-9,12-14H,10-11,21H2,1-2H3,(H,23,26).
What are the key properties of 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide?
2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide has a molecular weight of 365.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide is sourced from PubChem (CID 173044803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).