4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile

C14H16N4O — CID 103202639

IUPAC4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOc1ccc(CNCc2cc(C#N)n(C)c2)cn1
InChIInChI=1S/C14H16N4O/c1-18-10-12(5-13(18)6-15)8-16-7-11-3-4-14(19-2)17-9-11/h3-5,9-10,16H,7-8H2,1-2H3
InChIKeyBYGICEQXZBCRAD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.59
Rot. Bonds5

About 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103202639) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103202639
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOc1ccc(CNCc2cc(C#N)n(C)c2)cn1
InChIInChI=1S/C14H16N4O/c1-18-10-12(5-13(18)6-15)8-16-7-11-3-4-14(19-2)17-9-11/h3-5,9-10,16H,7-8H2,1-2H3
InChIKeyBYGICEQXZBCRAD-UHFFFAOYSA-N
XLogP1.59
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 120916528
4-[(2,2-dimethoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203040
4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202449
1-methyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103203215
4-[3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]phenoxy]butanenitrile
CID 119108900
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203473
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile (CID 103202639) is 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile is COc1ccc(CNCc2cc(C#N)n(C)c2)cn1.
What is the InChIKey of 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is BYGICEQXZBCRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-10-12(5-13(18)6-15)8-16-7-11-3-4-14(19-2)17-9-11/h3-5,9-10,16H,7-8H2,1-2H3.
What are the key properties of 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103202639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).