N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide

C20H20N4O3 — CID 91786632

IUPACN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-18-7-6-12(10-22-18)19(13-8-14(25)9-13)24-20(26)17-11-21-15-4-2-3-5-16(15)23-17/h2-7,10-11,13-14,19,25H,8-9H2,1H3,(H,24,26)
InChIKeyJTDKMOOVBZAGRR-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide (PubChem CID 91786632) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
PubChem CID91786632
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-18-7-6-12(10-22-18)19(13-8-14(25)9-13)24-20(26)17-11-21-15-4-2-3-5-16(15)23-17/h2-7,10-11,13-14,19,25H,8-9H2,1H3,(H,24,26)
InChIKeyJTDKMOOVBZAGRR-UHFFFAOYSA-N
XLogP2.28
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
CID 91792010
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 91787030
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
CID 91785186
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
2-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91790696
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 91774198
2-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 91759864
5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91781221

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide (CID 91786632) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide is COc1ccc(C(NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is JTDKMOOVBZAGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-18-7-6-12(10-22-18)19(13-8-14(25)9-13)24-20(26)17-11-21-15-4-2-3-5-16(15)23-17/h2-7,10-11,13-14,19,25H,8-9H2,1H3,(H,24,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.28, 5 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]quinoxaline-2-carboxamide is sourced from PubChem (CID 91786632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).