CID 59369486

C8H9N3O2 — CID 59369486

IUPAC—
SMILES[CH]c1cncc(C(=O)N(C)OC)n1
InChIInChI=1S/C8H9N3O2/c1-6-4-9-5-7(10-6)8(12)11(2)13-3/h1,4-5H,2-3H3
InChIKeyIXINZLUFYDQOIL-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.17
Rot. Bonds2

About CID 59369486

CID 59369486 (PubChem CID 59369486) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol.

Molecular Properties

Compound NameCID 59369486
PubChem CID59369486
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name—
SMILES[CH]c1cncc(C(=O)N(C)OC)n1
InChIInChI=1S/C8H9N3O2/c1-6-4-9-5-7(10-6)8(12)11(2)13-3/h1,4-5H,2-3H3
InChIKeyIXINZLUFYDQOIL-UHFFFAOYSA-N
XLogP0.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methylpyrimidine-4-carboxamide
CID 53404830
CID 59369483
CID 59369483
CID 59369515
CID 59369515
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
CID 63850514
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
5-ethyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 23143535
N-methoxy-N,6-dimethylpyrimidine-4-carboxamide
CID 121395327
N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
CID 141406084
N,N-diethylethanamine;N-methoxy-N,5-dimethylpyrazine-2-carboxamide
CID 158794501
N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 134850734

Frequently Asked Questions

What is the IUPAC name of CID 59369486?
The IUPAC name of CID 59369486 (CID 59369486) is not available.
What is the SMILES notation for CID 59369486?
The canonical SMILES for CID 59369486 is [CH]c1cncc(C(=O)N(C)OC)n1.
What is the InChIKey of CID 59369486?
The InChIKey is IXINZLUFYDQOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-6-4-9-5-7(10-6)8(12)11(2)13-3/h1,4-5H,2-3H3.
What are the key properties of CID 59369486?
CID 59369486 has a molecular weight of 179.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369486 is sourced from PubChem (CID 59369486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).