6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide

C20H22N4O2 — CID 46541768

IUPAC6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide
SMILESCC(OCCCNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-16(17-6-3-2-4-7-17)26-13-5-10-22-20(25)18-8-9-19(23-14-18)24-12-11-21-15-24/h2-4,6-9,11-12,14-16H,5,10,13H2,1H3,(H,22,25)
InChIKeyJTMMEMJLFBQHDF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.16
Rot. Bonds8

About 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide

6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide (PubChem CID 46541768) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide
PubChem CID46541768
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide
SMILESCC(OCCCNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-16(17-6-3-2-4-7-17)26-13-5-10-22-20(25)18-8-9-19(23-14-18)24-12-11-21-15-24/h2-4,6-9,11-12,14-16H,5,10,13H2,1H3,(H,22,25)
InChIKeyJTMMEMJLFBQHDF-UHFFFAOYSA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403271
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide (CID 46541768) is 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide is CC(OCCCNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1.
What is the InChIKey of 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide?
The InChIKey is JTMMEMJLFBQHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-16(17-6-3-2-4-7-17)26-13-5-10-22-20(25)18-8-9-19(23-14-18)24-12-11-21-15-24/h2-4,6-9,11-12,14-16H,5,10,13H2,1H3,(H,22,25).
What are the key properties of 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 46541768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).