4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide

C15H25N3O2 — CID 79314603

IUPAC4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C15H25N3O2/c1-3-18-8-4-5-13(18)11-17(2)14(19)15(12-16)6-9-20-10-7-15/h13H,3-11H2,1-2H3
InChIKeyTZRVAXDADMFLQT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.25
Rot. Bonds4

About 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide

4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide (PubChem CID 79314603) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide
PubChem CID79314603
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C15H25N3O2/c1-3-18-8-4-5-13(18)11-17(2)14(19)15(12-16)6-9-20-10-7-15/h13H,3-11H2,1-2H3
InChIKeyTZRVAXDADMFLQT-UHFFFAOYSA-N
XLogP1.25
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
CID 55126193
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 79314006
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
1-carbamothioyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80591070
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide (CID 79314603) is 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide is CCN1CCCC1CN(C)C(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide?
The InChIKey is TZRVAXDADMFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-18-8-4-5-13(18)11-17(2)14(19)15(12-16)6-9-20-10-7-15/h13H,3-11H2,1-2H3.
What are the key properties of 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide?
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 79314603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).