N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide

C19H18N4O2 — CID 117092864

IUPACN-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
SMILESO=C(NCCOc1ccccc1)c1cccc(Nc2cnccn2)c1
InChIInChI=1S/C19H18N4O2/c24-19(22-11-12-25-17-7-2-1-3-8-17)15-5-4-6-16(13-15)23-18-14-20-9-10-21-18/h1-10,13-14H,11-12H2,(H,21,23)(H,22,24)
InChIKeyUVRLZCJFNIRQID-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.03
Rot. Bonds7

About N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide

N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide (PubChem CID 117092864) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
PubChem CID117092864
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
SMILESO=C(NCCOc1ccccc1)c1cccc(Nc2cnccn2)c1
InChIInChI=1S/C19H18N4O2/c24-19(22-11-12-25-17-7-2-1-3-8-17)15-5-4-6-16(13-15)23-18-14-20-9-10-21-18/h1-10,13-14H,11-12H2,(H,21,23)(H,22,24)
InChIKeyUVRLZCJFNIRQID-UHFFFAOYSA-N
XLogP3.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(pyrazin-2-ylamino)benzamide
CID 117091377
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
3-methoxy-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005192

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide?
The IUPAC name of N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide (CID 117092864) is N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide.
What is the SMILES notation for N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide?
The canonical SMILES for N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide is O=C(NCCOc1ccccc1)c1cccc(Nc2cnccn2)c1.
What is the InChIKey of N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide?
The InChIKey is UVRLZCJFNIRQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(22-11-12-25-17-7-2-1-3-8-17)15-5-4-6-16(13-15)23-18-14-20-9-10-21-18/h1-10,13-14H,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide?
N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide is sourced from PubChem (CID 117092864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).