ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate

C19H23N3O3 — CID 4860691

IUPACethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Nc2cc(C)ccc2C)c(C)nc1C
InChIInChI=1S/C19H23N3O3/c1-6-25-18(23)15-10-17(14(5)20-13(15)4)22-19(24)21-16-9-11(2)7-8-12(16)3/h7-10H,6H2,1-5H3,(H2,21,22,24)
InChIKeyLGHWKWIZGBNLQN-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.14
Rot. Bonds4

About ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate

ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate (PubChem CID 4860691) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate
PubChem CID4860691
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Nc2cc(C)ccc2C)c(C)nc1C
InChIInChI=1S/C19H23N3O3/c1-6-25-18(23)15-10-17(14(5)20-13(15)4)22-19(24)21-16-9-11(2)7-8-12(16)3/h7-10H,6H2,1-5H3,(H2,21,22,24)
InChIKeyLGHWKWIZGBNLQN-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate (CID 4860691) is ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccc2C)c(C)nc1C.
What is the InChIKey of ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is LGHWKWIZGBNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-6-25-18(23)15-10-17(14(5)20-13(15)4)22-19(24)21-16-9-11(2)7-8-12(16)3/h7-10H,6H2,1-5H3,(H2,21,22,24).
What are the key properties of ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,5-dimethylphenyl)carbamoylamino]-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 4860691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).