N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide

C18H16N4O — CID 51090584

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1Cc2ccccc21)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-11-15-9-13-3-1-2-4-16(13)15)14-5-6-20-17(10-14)22-8-7-19-12-22/h1-8,10,12,15H,9,11H2,(H,21,23)
InChIKeyBLLSGLSKCLNUKK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.34
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 51090584) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID51090584
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1Cc2ccccc21)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-11-15-9-13-3-1-2-4-16(13)15)14-5-6-20-17(10-14)22-8-7-19-12-22/h1-8,10,12,15H,9,11H2,(H,21,23)
InChIKeyBLLSGLSKCLNUKK-UHFFFAOYSA-N
XLogP2.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815803
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815804
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090066
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
CID 51085905
2-imidazol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 75479337
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 51090584) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide is O=C(NCC1Cc2ccccc21)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is BLLSGLSKCLNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(21-11-15-9-13-3-1-2-4-16(13)15)14-5-6-20-17(10-14)22-8-7-19-12-22/h1-8,10,12,15H,9,11H2,(H,21,23).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 51090584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).