3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide

C18H18N6O2 — CID 172583032

IUPAC3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide
SMILESC/N=C/c1cc(-c2cnc3ccc(C(=O)N(C)OC)cc3n2)cnc1N
InChIInChI=1S/C18H18N6O2/c1-20-8-13-6-12(9-22-17(13)19)16-10-21-14-5-4-11(7-15(14)23-16)18(25)24(2)26-3/h4-10H,1-3H3,(H2,19,22)/b20-8+
InChIKeyAPWIKYSHSPRUCQ-DNTJNYDQSA-N
MW350.38 g/mol
LogP1.96
Rot. Bonds4

About 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide

3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide (PubChem CID 172583032) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide
PubChem CID172583032
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide
SMILESC/N=C/c1cc(-c2cnc3ccc(C(=O)N(C)OC)cc3n2)cnc1N
InChIInChI=1S/C18H18N6O2/c1-20-8-13-6-12(9-22-17(13)19)16-10-21-14-5-4-11(7-15(14)23-16)18(25)24(2)26-3/h4-10H,1-3H3,(H2,19,22)/b20-8+
InChIKeyAPWIKYSHSPRUCQ-DNTJNYDQSA-N
XLogP1.96
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-(cyclopentylmethyl)-N-methylquinoxaline-6-carboxamide
CID 172583112
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride
CID 157460259
3-(methyliminomethyl)-5-phenylpyridin-2-amine
CID 178058084
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 90700287
6,7-difluoro-N-methoxy-N-methylquinoline-3-carboxamide
CID 134393289
3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
CID 146673768
N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 46737966
3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
CID 162733624
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide?
The IUPAC name of 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide (CID 172583032) is 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide is C/N=C/c1cc(-c2cnc3ccc(C(=O)N(C)OC)cc3n2)cnc1N.
What is the InChIKey of 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide?
The InChIKey is APWIKYSHSPRUCQ-DNTJNYDQSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-20-8-13-6-12(9-22-17(13)19)16-10-21-14-5-4-11(7-15(14)23-16)18(25)24(2)26-3/h4-10H,1-3H3,(H2,19,22)/b20-8+.
What are the key properties of 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide?
3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(methyliminomethyl)-3-pyridinyl]-N-methoxy-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 172583032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).