ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate

C24H25N3O4 — CID 118174964

IUPACethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)c(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C
InChIInChI=1S/C24H25N3O4/c1-5-31-24(30)22-16(4)20(15(3)12-25-22)27-23(29)21-14(2)9-10-19(26-21)18-8-6-7-17(11-18)13-28/h6-12,28H,5,13H2,1-4H3,(H,25,27,29)
InChIKeyWODIVXFNANYWSZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.99
Rot. Bonds6

About ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate

ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate (PubChem CID 118174964) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate
PubChem CID118174964
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Nameethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)c(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C
InChIInChI=1S/C24H25N3O4/c1-5-31-24(30)22-16(4)20(15(3)12-25-22)27-23(29)21-14(2)9-10-19(26-21)18-8-6-7-17(11-18)13-28/h6-12,28H,5,13H2,1-4H3,(H,25,27,29)
InChIKeyWODIVXFNANYWSZ-UHFFFAOYSA-N
XLogP3.99
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate?
The IUPAC name of ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate (CID 118174964) is ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate?
The canonical SMILES for ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate is CCOC(=O)c1ncc(C)c(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C.
What is the InChIKey of ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate?
The InChIKey is WODIVXFNANYWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-5-31-24(30)22-16(4)20(15(3)12-25-22)27-23(29)21-14(2)9-10-19(26-21)18-8-6-7-17(11-18)13-28/h6-12,28H,5,13H2,1-4H3,(H,25,27,29).
What are the key properties of ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate?
ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate is sourced from PubChem (CID 118174964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).