N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide

C15H17N3O2 — CID 105062979

IUPACN-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1c(N)ccc(C)c1C
InChIInChI=1S/C15H17N3O2/c1-9-4-5-12(16)14(10(9)2)18-15(19)11-6-7-17-8-13(11)20-3/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyQVRFHTWVCLBEKS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds3

About N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide

N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105062979) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide
PubChem CID105062979
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1c(N)ccc(C)c1C
InChIInChI=1S/C15H17N3O2/c1-9-4-5-12(16)14(10(9)2)18-15(19)11-6-7-17-8-13(11)20-3/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyQVRFHTWVCLBEKS-UHFFFAOYSA-N
XLogP2.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide (CID 105062979) is N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1c(N)ccc(C)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is QVRFHTWVCLBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-4-5-12(16)14(10(9)2)18-15(19)11-6-7-17-8-13(11)20-3/h4-8H,16H2,1-3H3,(H,18,19).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105062979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).