N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide

C20H20N4O3 — CID 91792010

IUPACN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cccc3nccnc23)C2CC(O)C2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-17-6-5-12(11-23-17)18(13-9-14(25)10-13)24-20(26)15-3-2-4-16-19(15)22-8-7-21-16/h2-8,11,13-14,18,25H,9-10H2,1H3,(H,24,26)
InChIKeyKUIXYFAMZVQKDG-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide (PubChem CID 91792010) 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-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
PubChem CID91792010
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cccc3nccnc23)C2CC(O)C2)cn1
InChIInChI=1S/C20H20N4O3/c1-27-17-6-5-12(11-23-17)18(13-9-14(25)10-13)24-20(26)15-3-2-4-16-19(15)22-8-7-21-16/h2-8,11,13-14,18,25H,9-10H2,1H3,(H,24,26)
InChIKeyKUIXYFAMZVQKDG-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]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
CID 91785186
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 91786632
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
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
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
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 91774198
1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91765736
2-(2,3-difluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91783663

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide (CID 91792010) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide is COc1ccc(C(NC(=O)c2cccc3nccnc23)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide?
The InChIKey is KUIXYFAMZVQKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-6-5-12(11-23-17)18(13-9-14(25)10-13)24-20(26)15-3-2-4-16-19(15)22-8-7-21-16/h2-8,11,13-14,18,25H,9-10H2,1H3,(H,24,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide?
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-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-5-carboxamide is sourced from PubChem (CID 91792010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).