N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide

C20H22N4O2 — CID 13219174

IUPACN-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCCCCCn2ccnc2)cc1)c1cccnc1
InChIInChI=1S/C20H22N4O2/c25-20(17-5-4-10-21-15-17)23-18-6-8-19(9-7-18)26-14-3-1-2-12-24-13-11-22-16-24/h4-11,13,15-16H,1-3,12,14H2,(H,23,25)
InChIKeyXECVOKDTPXIXRC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.78
Rot. Bonds9

About N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide

N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide (PubChem CID 13219174) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
PubChem CID13219174
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCCCCCn2ccnc2)cc1)c1cccnc1
InChIInChI=1S/C20H22N4O2/c25-20(17-5-4-10-21-15-17)23-18-6-8-19(9-7-18)26-14-3-1-2-12-24-13-11-22-16-24/h4-11,13,15-16H,1-3,12,14H2,(H,23,25)
InChIKeyXECVOKDTPXIXRC-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.78
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

N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 166233055
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid
CID 58822795
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide (CID 13219174) is N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OCCCCCn2ccnc2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is XECVOKDTPXIXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(17-5-4-10-21-15-17)23-18-6-8-19(9-7-18)26-14-3-1-2-12-24-13-11-22-16-24/h4-11,13,15-16H,1-3,12,14H2,(H,23,25).
What are the key properties of N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide?
N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 13219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).