3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide

C27H27N5O4 — CID 46440691

IUPAC3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)ccc1OCc1cccnc1
InChIInChI=1S/C27H27N5O4/c1-3-35-25-15-21(10-11-24(25)36-18-20-7-5-12-28-17-20)27(34)31-23-9-4-8-22(16-23)30-26(33)19(2)32-14-6-13-29-32/h4-17,19H,3,18H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyGNYQOHYLUSJTSM-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.71
Rot. Bonds10

About 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46440691) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46440691
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)ccc1OCc1cccnc1
InChIInChI=1S/C27H27N5O4/c1-3-35-25-15-21(10-11-24(25)36-18-20-7-5-12-28-17-20)27(34)31-23-9-4-8-22(16-23)30-26(33)19(2)32-14-6-13-29-32/h4-17,19H,3,18H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyGNYQOHYLUSJTSM-UHFFFAOYSA-N
XLogP4.71
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39269336
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 46440691) is 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is GNYQOHYLUSJTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-3-35-25-15-21(10-11-24(25)36-18-20-7-5-12-28-17-20)27(34)31-23-9-4-8-22(16-23)30-26(33)19(2)32-14-6-13-29-32/h4-17,19H,3,18H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 485.54 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46440691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).