1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one

C23H30ClN5O2 — CID 143038736

IUPAC1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
SMILESCCNCCn1c(C)cnc(NCCOc2ccccn2)c1=O.Cc1cccc(Cl)c1
InChIInChI=1S/C16H23N5O2.C7H7Cl/c1-3-17-8-10-21-13(2)12-20-15(16(21)22)19-9-11-23-14-6-4-5-7-18-14;1-6-3-2-4-7(8)5-6/h4-7,12,17H,3,8-11H2,1-2H3,(H,19,20);2-5H,1H3
InChIKeyTXQUYRSFFBNICR-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.70
Rot. Bonds9

About 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one

1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one (PubChem CID 143038736) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
PubChem CID143038736
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC Name1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
SMILESCCNCCn1c(C)cnc(NCCOc2ccccn2)c1=O.Cc1cccc(Cl)c1
InChIInChI=1S/C16H23N5O2.C7H7Cl/c1-3-17-8-10-21-13(2)12-20-15(16(21)22)19-9-11-23-14-6-4-5-7-18-14;1-6-3-2-4-7(8)5-6/h4-7,12,17H,3,8-11H2,1-2H3,(H,19,20);2-5H,1H3
InChIKeyTXQUYRSFFBNICR-UHFFFAOYSA-N
XLogP3.70
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(5-Chloro-4-(2-(5-chloro-2-(2,2,2-trifluoroethoxy)benzylamino)-2-oxoethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)ethyl)pyridine 1-oxide
CID 9937307
2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamido)methyl)phenoxy)-N-cyclopropylacetamide
CID 53317095
2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamido)methyl)phenoxy)-N-(piperidin-3-yl)acetamide
CID 53324991
N-(5-chloro-2-(2,2,2-trifluoroethoxy)benzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide
CID 53319728
N-(5-chloro-2-methoxybenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide
CID 53326648
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-methyl-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256799
2-(2-(5-Chloro-4-(2-(5-chloro-2-methoxybenzylamino)-2-oxoethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)ethyl)pyridine 1-oxide
CID 53323724
5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
CID 127047546
2-[(3-Chlorophenyl)methoxy]-7-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one
CID 137650553
2-{4-[2-(4-Chloro-2-methylphenoxy)acetyl]piperazin-1-YL}-4-ethyl-3H,4H-pyrido[3,4-B]pyrazin-3-one
CID 53194635
1-[3-[(3-Chlorophenyl)methoxy]-2-pyridinyl]-3-(2-piperazin-1-ylethyl)urea
CID 137646719
(6S,12S)-6-[(2S)-butan-2-yl]-12-[(3-chlorophenyl)methyl]spiro[2-oxa-5,8,11,14,22-pentazabicyclo[16.4.0]docosa-1(18),19,21-triene-9,1'-cyclopentane]-7,10,13-trione
CID 134148332

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
The IUPAC name of 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one (CID 143038736) is 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one.
What is the SMILES notation for 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
The canonical SMILES for 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one is CCNCCn1c(C)cnc(NCCOc2ccccn2)c1=O.Cc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
The InChIKey is TXQUYRSFFBNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.C7H7Cl/c1-3-17-8-10-21-13(2)12-20-15(16(21)22)19-9-11-23-14-6-4-5-7-18-14;1-6-3-2-4-7(8)5-6/h4-7,12,17H,3,8-11H2,1-2H3,(H,19,20);2-5H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one has a molecular weight of 443.98 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one is sourced from PubChem (CID 143038736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).