N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C25H25N5O3 — CID 55945165

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cnn(-c4ccccn4)c3CC)ccn2)cc1
InChIInChI=1S/C25H25N5O3/c1-3-22-21(17-29-30(22)23-7-5-6-13-26-23)25(31)28-16-18-12-14-27-24(15-18)33-20-10-8-19(9-11-20)32-4-2/h5-15,17H,3-4,16H2,1-2H3,(H,28,31)
InChIKeyRRTLJKNBOWMLHY-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.35
Rot. Bonds9

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55945165) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55945165
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cnn(-c4ccccn4)c3CC)ccn2)cc1
InChIInChI=1S/C25H25N5O3/c1-3-22-21(17-29-30(22)23-7-5-6-13-26-23)25(31)28-16-18-12-14-27-24(15-18)33-20-10-8-19(9-11-20)32-4-2/h5-15,17H,3-4,16H2,1-2H3,(H,28,31)
InChIKeyRRTLJKNBOWMLHY-UHFFFAOYSA-N
XLogP4.35
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39043684
5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 78867900
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55945165) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCOc1ccc(Oc2cc(CNC(=O)c3cnn(-c4ccccn4)c3CC)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is RRTLJKNBOWMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-3-22-21(17-29-30(22)23-7-5-6-13-26-23)25(31)28-16-18-12-14-27-24(15-18)33-20-10-8-19(9-11-20)32-4-2/h5-15,17H,3-4,16H2,1-2H3,(H,28,31).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55945165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).