N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide

C21H22N4O3 — CID 91785186

IUPACN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccccc2-n2cccn2)C2CC(O)C2)cn1
InChIInChI=1S/C21H22N4O3/c1-28-19-8-7-14(13-22-19)20(15-11-16(26)12-15)24-21(27)17-5-2-3-6-18(17)25-10-4-9-23-25/h2-10,13,15-16,20,26H,11-12H2,1H3,(H,24,27)
InChIKeyUJHLCVSSGFKEBQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.52
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 91785186) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
PubChem CID91785186
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccccc2-n2cccn2)C2CC(O)C2)cn1
InChIInChI=1S/C21H22N4O3/c1-28-19-8-7-14(13-22-19)20(15-11-16(26)12-15)24-21(27)17-5-2-3-6-18(17)25-10-4-9-23-25/h2-10,13,15-16,20,26H,11-12H2,1H3,(H,24,27)
InChIKeyUJHLCVSSGFKEBQ-UHFFFAOYSA-N
XLogP2.52
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
CID 91792010
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 91787030
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 91786632
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91765736
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 91774198
2-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91790696
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91760458

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide (CID 91785186) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide is COc1ccc(C(NC(=O)c2ccccc2-n2cccn2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is UJHLCVSSGFKEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-19-8-7-14(13-22-19)20(15-11-16(26)12-15)24-21(27)17-5-2-3-6-18(17)25-10-4-9-23-25/h2-10,13,15-16,20,26H,11-12H2,1H3,(H,24,27).
What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide?
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 91785186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).