[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone

C18H22N4O4 — CID 109276428

IUPAC[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2cnc(C(=O)N3CCOCC3)cn2)cc1OC
InChIInChI=1S/C18H22N4O4/c1-24-15-4-3-13(9-16(15)25-2)10-20-17-12-19-14(11-21-17)18(23)22-5-7-26-8-6-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyJKFOHSONQSBWJF-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.58
Rot. Bonds6

About [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone

[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 109276428) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID109276428
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2cnc(C(=O)N3CCOCC3)cn2)cc1OC
InChIInChI=1S/C18H22N4O4/c1-24-15-4-3-13(9-16(15)25-2)10-20-17-12-19-14(11-21-17)18(23)22-5-7-26-8-6-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyJKFOHSONQSBWJF-UHFFFAOYSA-N
XLogP1.58
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278454
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
2-[2-methoxy-4-[(pyridazin-3-ylamino)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 86806885
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285950
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
4-[6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155000

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 109276428) is [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone is COc1ccc(CNc2cnc(C(=O)N3CCOCC3)cn2)cc1OC.
What is the InChIKey of [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JKFOHSONQSBWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-24-15-4-3-13(9-16(15)25-2)10-20-17-12-19-14(11-21-17)18(23)22-5-7-26-8-6-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 358.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109276428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).