N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide

C18H18N4O3 — CID 90740732

IUPACN-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCn1cc(-c2cccc(OCCNC(=O)c3cc[nH]c(=O)c3)c2)cn1
InChIInChI=1S/C18H18N4O3/c1-22-12-15(11-21-22)13-3-2-4-16(9-13)25-8-7-20-18(24)14-5-6-19-17(23)10-14/h2-6,9-12H,7-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyQPPLQEVDTZWFCL-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.58
Rot. Bonds6

About N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide

N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 90740732) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID90740732
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCn1cc(-c2cccc(OCCNC(=O)c3cc[nH]c(=O)c3)c2)cn1
InChIInChI=1S/C18H18N4O3/c1-22-12-15(11-21-22)13-3-2-4-16(9-13)25-8-7-20-18(24)14-5-6-19-17(23)10-14/h2-6,9-12H,7-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyQPPLQEVDTZWFCL-UHFFFAOYSA-N
XLogP1.58
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide 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-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1,2-oxazole-5-carboxamide
CID 91386336
2-oxo-N-(2-phenoxyethyl)-1H-pyridine-4-carboxamide
CID 103762674
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263
(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
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91532617
2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 90926280
2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide
CID 173044803
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91251709
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide (CID 90740732) is N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide is Cn1cc(-c2cccc(OCCNC(=O)c3cc[nH]c(=O)c3)c2)cn1.
What is the InChIKey of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is QPPLQEVDTZWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22-12-15(11-21-22)13-3-2-4-16(9-13)25-8-7-20-18(24)14-5-6-19-17(23)10-14/h2-6,9-12H,7-8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 90740732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).