6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile

C18H17N5O — CID 133331028

IUPAC6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCOc1ccccc1C(Nc1cccc(C#N)n1)c1nccn1C
InChIInChI=1S/C18H17N5O/c1-23-11-10-20-18(23)17(14-7-3-4-8-15(14)24-2)22-16-9-5-6-13(12-19)21-16/h3-11,17H,1-2H3,(H,21,22)
InChIKeyVVVXQZVLJDMPMO-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.90
Rot. Bonds5

About 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile

6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 133331028) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
PubChem CID133331028
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCOc1ccccc1C(Nc1cccc(C#N)n1)c1nccn1C
InChIInChI=1S/C18H17N5O/c1-23-11-10-20-18(23)17(14-7-3-4-8-15(14)24-2)22-16-9-5-6-13(12-19)21-16/h3-11,17H,1-2H3,(H,21,22)
InChIKeyVVVXQZVLJDMPMO-UHFFFAOYSA-N
XLogP2.90
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 41015325
2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 18109382
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133331042
3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25341438
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 27702363
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 27702361
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 166185377

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile (CID 133331028) is 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile is COc1ccccc1C(Nc1cccc(C#N)n1)c1nccn1C.
What is the InChIKey of 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is VVVXQZVLJDMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-11-10-20-18(23)17(14-7-3-4-8-15(14)24-2)22-16-9-5-6-13(12-19)21-16/h3-11,17H,1-2H3,(H,21,22).
What are the key properties of 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133331028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).