N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide

C12H11N3O2 — CID 50740028

IUPACN-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide
SMILESCc1cccc(NC(=O)c2cccc[n+]2[O-])n1
InChIInChI=1S/C12H11N3O2/c1-9-5-4-7-11(13-9)14-12(16)10-6-2-3-8-15(10)17/h2-8H,1H3,(H,13,14,16)
InChIKeyILEPFWOXJPSLOK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.28
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide

N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide (PubChem CID 50740028) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide
PubChem CID50740028
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide
SMILESCc1cccc(NC(=O)c2cccc[n+]2[O-])n1
InChIInChI=1S/C12H11N3O2/c1-9-5-4-7-11(13-9)14-12(16)10-6-2-3-8-15(10)17/h2-8H,1H3,(H,13,14,16)
InChIKeyILEPFWOXJPSLOK-UHFFFAOYSA-N
XLogP1.28
TPSA68.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
N-[4-(dimethylamino)-3-methylphenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60508077
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
CID 169359188
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
5-(methylamino)-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90733062
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 135471279
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123858

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide (CID 50740028) is N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide is Cc1cccc(NC(=O)c2cccc[n+]2[O-])n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide?
The InChIKey is ILEPFWOXJPSLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9-5-4-7-11(13-9)14-12(16)10-6-2-3-8-15(10)17/h2-8H,1H3,(H,13,14,16).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide?
N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-oxidopyridin-1-ium-2-carboxamide is sourced from PubChem (CID 50740028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).