N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide

C27H26N4O3 — CID 170022045

IUPACN-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1Oc1cncc(-c2cncc(NC(=O)Cc3ccc(CC)cc3)n2)c1
InChIInChI=1S/C27H26N4O3/c1-3-19-9-11-20(12-10-19)13-27(32)31-26-18-29-17-23(30-26)21-14-22(16-28-15-21)34-25-8-6-5-7-24(25)33-4-2/h5-12,14-18H,3-4,13H2,1-2H3,(H,30,31,32)
InChIKeyPSKWPGVXJDMVLU-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.47
Rot. Bonds9

About N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide

N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide (PubChem CID 170022045) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
PubChem CID170022045
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1Oc1cncc(-c2cncc(NC(=O)Cc3ccc(CC)cc3)n2)c1
InChIInChI=1S/C27H26N4O3/c1-3-19-9-11-20(12-10-19)13-27(32)31-26-18-29-17-23(30-26)21-14-22(16-28-15-21)34-25-8-6-5-7-24(25)33-4-2/h5-12,14-18H,3-4,13H2,1-2H3,(H,30,31,32)
InChIKeyPSKWPGVXJDMVLU-UHFFFAOYSA-N
XLogP5.47
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-(2-ethoxyphenoxy)phenyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide
CID 170022142
N-[6-[6-(2-ethoxyphenoxy)-2-pyridinyl]pyrazin-2-yl]-3-phenylpropanamide
CID 162747313
N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
CID 21262993
2-[4-[3-[[6-[3-[(3-ethoxy-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]amino]-3-oxopropyl]phenoxy]-2-methylpropanoic acid
CID 162747277
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
2-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenyl]acetic acid
CID 156541353
4-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenoxy]butanoic acid
CID 156541437
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501
2-[4-[2-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethoxy]phenyl]acetic acid
CID 156541428
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide (CID 170022045) is N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide is CCOc1ccccc1Oc1cncc(-c2cncc(NC(=O)Cc3ccc(CC)cc3)n2)c1.
What is the InChIKey of N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
The InChIKey is PSKWPGVXJDMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-3-19-9-11-20(12-10-19)13-27(32)31-26-18-29-17-23(30-26)21-14-22(16-28-15-21)34-25-8-6-5-7-24(25)33-4-2/h5-12,14-18H,3-4,13H2,1-2H3,(H,30,31,32).
What are the key properties of N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide?
N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide has a molecular weight of 454.53 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(2-ethoxyphenoxy)-3-pyridinyl]pyrazin-2-yl]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 170022045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).