4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile

C17H20N4O2 — CID 120916528

IUPAC4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOc1ccc([C@H]2OCC[C@@H]2NCc2cc(C#N)n(C)c2)cn1
InChIInChI=1S/C17H20N4O2/c1-21-11-12(7-14(21)8-18)9-19-15-5-6-23-17(15)13-3-4-16(22-2)20-10-13/h3-4,7,10-11,15,17,19H,5-6,9H2,1-2H3/t15-,17+/m0/s1
InChIKeyOXCSIMGMHTUUFK-DOTOQJQBSA-N
MW312.37 g/mol
LogP1.92
Rot. Bonds5

About 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 120916528) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID120916528
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOc1ccc([C@H]2OCC[C@@H]2NCc2cc(C#N)n(C)c2)cn1
InChIInChI=1S/C17H20N4O2/c1-21-11-12(7-14(21)8-18)9-19-15-5-6-23-17(15)13-3-4-16(22-2)20-10-13/h3-4,7,10-11,15,17,19H,5-6,9H2,1-2H3/t15-,17+/m0/s1
InChIKeyOXCSIMGMHTUUFK-DOTOQJQBSA-N
XLogP1.92
TPSA72.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile with MolForge

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Related Compounds

4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202639
1-methyl-4-[[[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]amino]methyl]pyrrole-2-carbonitrile
CID 128976514
1-methyl-4-[[[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]amino]methyl]pyrrole-2-carbonitrile
CID 128976618
(2R,3S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(6-methoxy-3-pyridinyl)oxolan-3-amine
CID 167794228
5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
CID 114939001
4-[[(2-tert-butylcyclohexyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202738
1-methyl-4-[(oxetan-3-ylamino)methyl]pyrrole-2-carbonitrile
CID 103203405
N-[[2-(6-methoxy-3-pyridinyl)oxan-3-yl]methyl]cyclopropanamine
CID 114938990
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203012
4-[(cyclohexylmethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202700
3-ethyl-N-[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]pyridine-4-carboxamide
CID 120965701
N-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363784

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile (CID 120916528) is 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile is COc1ccc([C@H]2OCC[C@@H]2NCc2cc(C#N)n(C)c2)cn1.
What is the InChIKey of 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is OXCSIMGMHTUUFK-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-11-12(7-14(21)8-18)9-19-15-5-6-23-17(15)13-3-4-16(22-2)20-10-13/h3-4,7,10-11,15,17,19H,5-6,9H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 120916528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).