4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile

C14H17N5O — CID 66401699

IUPAC4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESCOCCNCc1nccn1Cc1ccnc(C#N)c1
InChIInChI=1S/C14H17N5O/c1-20-7-5-16-10-14-18-4-6-19(14)11-12-2-3-17-13(8-12)9-15/h2-4,6,8,16H,5,7,10-11H2,1H3
InChIKeyJWNREHIUXRMYCE-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.93
Rot. Bonds7

About 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile

4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 66401699) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID66401699
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESCOCCNCc1nccn1Cc1ccnc(C#N)c1
InChIInChI=1S/C14H17N5O/c1-20-7-5-16-10-14-18-4-6-19(14)11-12-2-3-17-13(8-12)9-15/h2-4,6,8,16H,5,7,10-11H2,1H3
InChIKeyJWNREHIUXRMYCE-UHFFFAOYSA-N
XLogP0.93
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881824
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 116790158
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
CID 66402475
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile (CID 66401699) is 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile is COCCNCc1nccn1Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is JWNREHIUXRMYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-7-5-16-10-14-18-4-6-19(14)11-12-2-3-17-13(8-12)9-15/h2-4,6,8,16H,5,7,10-11H2,1H3.
What are the key properties of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 66401699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).