1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile

C14H14N6O — CID 115944840

IUPAC1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile
SMILESCOCCNCc1ccc(-n2cnc(C#N)c2C#N)nc1
InChIInChI=1S/C14H14N6O/c1-21-5-4-17-8-11-2-3-14(18-9-11)20-10-19-12(6-15)13(20)7-16/h2-3,9-10,17H,4-5,8H2,1H3
InChIKeyDDKFKJCYJTTWHC-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.75
Rot. Bonds6

About 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile

1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944840) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile
PubChem CID115944840
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile
SMILESCOCCNCc1ccc(-n2cnc(C#N)c2C#N)nc1
InChIInChI=1S/C14H14N6O/c1-21-5-4-17-8-11-2-3-14(18-9-11)20-10-19-12(6-15)13(20)7-16/h2-3,9-10,17H,4-5,8H2,1H3
InChIKeyDDKFKJCYJTTWHC-UHFFFAOYSA-N
XLogP0.75
TPSA99.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80635766
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
N-[[6-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636263
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile (CID 115944840) is 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile is COCCNCc1ccc(-n2cnc(C#N)c2C#N)nc1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile?
The InChIKey is DDKFKJCYJTTWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-21-5-4-17-8-11-2-3-14(18-9-11)20-10-19-12(6-15)13(20)7-16/h2-3,9-10,17H,4-5,8H2,1H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile?
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile has a molecular weight of 282.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).