N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide

C23H23N3O2 — CID 118763811

IUPACN-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
SMILESCCOc1ccc(CN(C(=O)c2cccc(-c3cnccn3)c2)C2CC2)cc1
InChIInChI=1S/C23H23N3O2/c1-2-28-21-10-6-17(7-11-21)16-26(20-8-9-20)23(27)19-5-3-4-18(14-19)22-15-24-12-13-25-22/h3-7,10-15,20H,2,8-9,16H2,1H3
InChIKeyOHPNQSUWSOVTRC-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.35
Rot. Bonds7

About N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide

N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide (PubChem CID 118763811) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
PubChem CID118763811
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
SMILESCCOc1ccc(CN(C(=O)c2cccc(-c3cnccn3)c2)C2CC2)cc1
InChIInChI=1S/C23H23N3O2/c1-2-28-21-10-6-17(7-11-21)16-26(20-8-9-20)23(27)19-5-3-4-18(14-19)22-15-24-12-13-25-22/h3-7,10-15,20H,2,8-9,16H2,1H3
InChIKeyOHPNQSUWSOVTRC-UHFFFAOYSA-N
XLogP4.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-[(2-methoxyacetyl)amino]benzamide
CID 50975306
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate
CID 55873499
N-[(4-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethoxybenzamide
CID 7514041
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
CID 120517586
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbenzamide
CID 42836686

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide (CID 118763811) is N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide is CCOc1ccc(CN(C(=O)c2cccc(-c3cnccn3)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide?
The InChIKey is OHPNQSUWSOVTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-28-21-10-6-17(7-11-21)16-26(20-8-9-20)23(27)19-5-3-4-18(14-19)22-15-24-12-13-25-22/h3-7,10-15,20H,2,8-9,16H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide?
N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide is sourced from PubChem (CID 118763811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).