N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C15H18N4O2 — CID 79352586

IUPACN-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCCOc1ccccc1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H18N4O2/c20-15(13-8-12-14(9-17-13)19-10-18-12)16-6-7-21-11-4-2-1-3-5-11/h1-5,10,13,17H,6-9H2,(H,16,20)(H,18,19)
InChIKeyMRAGDBJPBKKVPA-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.62
Rot. Bonds5

About N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352586) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352586
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCCOc1ccccc1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H18N4O2/c20-15(13-8-12-14(9-17-13)19-10-18-12)16-6-7-21-11-4-2-1-3-5-11/h1-5,10,13,17H,6-9H2,(H,16,20)(H,18,19)
InChIKeyMRAGDBJPBKKVPA-UHFFFAOYSA-N
XLogP0.62
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353705
N-[2-(2-methylprop-2-enoxy)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 114467962
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
2-hydroxy-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
CID 107836219
N-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353844
N-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351696
N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354263
N-(3-methylsulfonylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353971
(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352740
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352452
N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352004

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352586) is N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCCOc1ccccc1)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is MRAGDBJPBKKVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(13-8-12-14(9-17-13)19-10-18-12)16-6-7-21-11-4-2-1-3-5-11/h1-5,10,13,17H,6-9H2,(H,16,20)(H,18,19).
What are the key properties of N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).