N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide

C9H14N4O2 — CID 68916950

IUPACN-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCN(C(=O)C1COCCN1)c1ncc[nH]1
InChIInChI=1S/C9H14N4O2/c1-13(9-11-2-3-12-9)8(14)7-6-15-5-4-10-7/h2-3,7,10H,4-6H2,1H3,(H,11,12)
InChIKeyJKTGSPIXTCRJQN-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.64
Rot. Bonds2

About N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide

N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 68916950) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide
PubChem CID68916950
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCN(C(=O)C1COCCN1)c1ncc[nH]1
InChIInChI=1S/C9H14N4O2/c1-13(9-11-2-3-12-9)8(14)7-6-15-5-4-10-7/h2-3,7,10H,4-6H2,1H3,(H,11,12)
InChIKeyJKTGSPIXTCRJQN-UHFFFAOYSA-N
XLogP-0.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129338086
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CID 129341217
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CID 119867985
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CID 120939408
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CID 120940350
CID 120940350

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide (CID 68916950) is N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide is CN(C(=O)C1COCCN1)c1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is JKTGSPIXTCRJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13(9-11-2-3-12-9)8(14)7-6-15-5-4-10-7/h2-3,7,10H,4-6H2,1H3,(H,11,12).
What are the key properties of N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide?
N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 68916950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).