3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide

C17H21N5O3 — CID 126475128

IUPAC3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
SMILESNc1ncc(-c2cccc(C(=O)NCCO)c2)nc1N1CCOCC1
InChIInChI=1S/C17H21N5O3/c18-15-16(22-5-8-25-9-6-22)21-14(11-20-15)12-2-1-3-13(10-12)17(24)19-4-7-23/h1-3,10-11,23H,4-9H2,(H2,18,20)(H,19,24)
InChIKeyNILYHMSOHAIGRQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.28
Rot. Bonds5

About 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide

3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide (PubChem CID 126475128) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
PubChem CID126475128
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
SMILESNc1ncc(-c2cccc(C(=O)NCCO)c2)nc1N1CCOCC1
InChIInChI=1S/C17H21N5O3/c18-15-16(22-5-8-25-9-6-22)21-14(11-20-15)12-2-1-3-13(10-12)17(24)19-4-7-23/h1-3,10-11,23H,4-9H2,(H2,18,20)(H,19,24)
InChIKeyNILYHMSOHAIGRQ-UHFFFAOYSA-N
XLogP0.28
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 21111126
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-[5-amino-6-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 91295817
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
CID 126447514
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
CID 50816070
N-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]benzamide
CID 175883788

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide (CID 126475128) is 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide is Nc1ncc(-c2cccc(C(=O)NCCO)c2)nc1N1CCOCC1.
What is the InChIKey of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is NILYHMSOHAIGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-15-16(22-5-8-25-9-6-22)21-14(11-20-15)12-2-1-3-13(10-12)17(24)19-4-7-23/h1-3,10-11,23H,4-9H2,(H2,18,20)(H,19,24).
What are the key properties of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 126475128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).