1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one

C21H25ClN6O — CID 58869659

IUPAC1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
SMILESCc1cnc(NCCNc2ccccn2)c(=O)n1CCNCc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN6O/c1-16-14-27-20(26-10-9-25-19-7-2-3-8-24-19)21(29)28(16)12-11-23-15-17-5-4-6-18(22)13-17/h2-8,13-14,23H,9-12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyUYLDBSLZOPORNX-UHFFFAOYSA-N
MW412.93 g/mol
LogP2.91
Rot. Bonds10

About 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one

1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one (PubChem CID 58869659) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
PubChem CID58869659
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC Name1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
SMILESCc1cnc(NCCNc2ccccn2)c(=O)n1CCNCc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN6O/c1-16-14-27-20(26-10-9-25-19-7-2-3-8-24-19)21(29)28(16)12-11-23-15-17-5-4-6-18(22)13-17/h2-8,13-14,23H,9-12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyUYLDBSLZOPORNX-UHFFFAOYSA-N
XLogP2.91
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869625
1-chloro-3-methylbenzene;1-[2-(ethylamino)ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
CID 143038736
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 11363911
1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
CID 11442768
3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
CID 70197482
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 70336650
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
N'-[1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-yl]-N-pyridin-2-ylbutane-1,4-diamine
CID 51134816
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The IUPAC name of 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one (CID 58869659) is 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one is Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The InChIKey is UYLDBSLZOPORNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O/c1-16-14-27-20(26-10-9-25-19-7-2-3-8-24-19)21(29)28(16)12-11-23-15-17-5-4-6-18(22)13-17/h2-8,13-14,23H,9-12,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one has a molecular weight of 412.93 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one is sourced from PubChem (CID 58869659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).