6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile

C17H21N5O — CID 154796340

IUPAC6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCCn1ccnc1C(Nc1cccc(C#N)n1)C1CCOCC1
InChIInChI=1S/C17H21N5O/c1-2-22-9-8-19-17(22)16(13-6-10-23-11-7-13)21-15-5-3-4-14(12-18)20-15/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3,(H,20,21)
InChIKeyZLTFKMMFBHKKPL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.75
Rot. Bonds5

About 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile

6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 154796340) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
PubChem CID154796340
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCCn1ccnc1C(Nc1cccc(C#N)n1)C1CCOCC1
InChIInChI=1S/C17H21N5O/c1-2-22-9-8-19-17(22)16(13-6-10-23-11-7-13)21-15-5-3-4-14(12-18)20-15/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3,(H,20,21)
InChIKeyZLTFKMMFBHKKPL-UHFFFAOYSA-N
XLogP2.75
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
CID 129482196
4-[[[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-2-methoxybenzonitrile
CID 129483498
4-[[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 128969600
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
CID 128988050
6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile
CID 133392449
4-benzoyl-N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]piperazine-1-carboxamide
CID 164638768
1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 128976454
1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
CID 128976689
6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 115766717

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile (CID 154796340) is 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile is CCn1ccnc1C(Nc1cccc(C#N)n1)C1CCOCC1.
What is the InChIKey of 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is ZLTFKMMFBHKKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-22-9-8-19-17(22)16(13-6-10-23-11-7-13)21-15-5-3-4-14(12-18)20-15/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3,(H,20,21).
What are the key properties of 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile?
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 154796340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).