2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide

C15H17N3O2 — CID 748345

IUPAC2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1Nc1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-9-8-10(2)17-15(13(9)14(16)19)18-11-6-4-5-7-12(11)20-3/h4-8H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyDDCUUGCWZQRHSB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide

2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 748345) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID748345
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1Nc1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-9-8-10(2)17-15(13(9)14(16)19)18-11-6-4-5-7-12(11)20-3/h4-8H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyDDCUUGCWZQRHSB-UHFFFAOYSA-N
XLogP2.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide (CID 748345) is 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide is COc1ccccc1Nc1nc(C)cc(C)c1C(N)=O.
What is the InChIKey of 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is DDCUUGCWZQRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-8-10(2)17-15(13(9)14(16)19)18-11-6-4-5-7-12(11)20-3/h4-8H,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 748345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).