N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide

C13H20N6O2 — CID 120661490

IUPACN-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide
SMILESCC1CN(/C(N)=N/CCNC(=O)c2cnccn2)CCO1
InChIInChI=1S/C13H20N6O2/c1-10-9-19(6-7-21-10)13(14)18-5-4-17-12(20)11-8-15-2-3-16-11/h2-3,8,10H,4-7,9H2,1H3,(H2,14,18)(H,17,20)
InChIKeyUNUPCNOGFASWMV-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.76
Rot. Bonds4

About N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 120661490) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide
PubChem CID120661490
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide
SMILESCC1CN(/C(N)=N/CCNC(=O)c2cnccn2)CCO1
InChIInChI=1S/C13H20N6O2/c1-10-9-19(6-7-21-10)13(14)18-5-4-17-12(20)11-8-15-2-3-16-11/h2-3,8,10H,4-7,9H2,1H3,(H2,14,18)(H,17,20)
InChIKeyUNUPCNOGFASWMV-UHFFFAOYSA-N
XLogP-0.76
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide
CID 119115877
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119115876
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119121124
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide
CID 122395103
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055570
N-[2-[[C-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-N-methylcarbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
CID 119144966
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663326

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide (CID 120661490) is N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide is CC1CN(/C(N)=N/CCNC(=O)c2cnccn2)CCO1.
What is the InChIKey of N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is UNUPCNOGFASWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-10-9-19(6-7-21-10)13(14)18-5-4-17-12(20)11-8-15-2-3-16-11/h2-3,8,10H,4-7,9H2,1H3,(H2,14,18)(H,17,20).
What are the key properties of N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 120661490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).