N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide

C22H24N4O3 — CID 136515901

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1COC1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-22(25-14-17-5-6-21(24-13-17)26-10-9-23-16-26)20-4-2-1-3-18(20)15-29-19-7-11-28-12-8-19/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2,(H,25,27)
InChIKeyMUNIPXHBQPZSMZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.89
Rot. Bonds7

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide (PubChem CID 136515901) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide
PubChem CID136515901
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1COC1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-22(25-14-17-5-6-21(24-13-17)26-10-9-23-16-26)20-4-2-1-3-18(20)15-29-19-7-11-28-12-8-19/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2,(H,25,27)
InChIKeyMUNIPXHBQPZSMZ-UHFFFAOYSA-N
XLogP2.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide
CID 55677946
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291
3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 126784533
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(2-morpholin-4-ylphenyl)methyl]methanamine
CID 56824108
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539
4-chloro-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-nitrobenzamide
CID 38772476
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide (CID 136515901) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide is O=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1COC1CCOCC1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide?
The InChIKey is MUNIPXHBQPZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-22(25-14-17-5-6-21(24-13-17)26-10-9-23-16-26)20-4-2-1-3-18(20)15-29-19-7-11-28-12-8-19/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2,(H,25,27).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide is sourced from PubChem (CID 136515901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).