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

C16H19N3O — CID 712047

IUPAC2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C16H19N3O/c1-4-12-5-7-13(8-6-12)19-16-14(15(17)20)10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyPQMJWIOJTXYATL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.10
Rot. Bonds4

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

2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 712047) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID712047
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C16H19N3O/c1-4-12-5-7-13(8-6-12)19-16-14(15(17)20)10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyPQMJWIOJTXYATL-UHFFFAOYSA-N
XLogP3.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide (CID 712047) is 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide is CCc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1.
What is the InChIKey of 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is PQMJWIOJTXYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-12-5-7-13(8-6-12)19-16-14(15(17)20)10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide?
2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 712047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).