(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate

C16H16N2O4 — CID 51114366

IUPAC(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2ccnc(N(C)C)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-18(2)14-10-12(8-9-17-14)16(20)22-13-6-4-11(5-7-13)15(19)21-3/h4-10H,1-3H3
InChIKeyBYTYLBCIGHUPSF-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.15
Rot. Bonds4

About (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate

(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate (PubChem CID 51114366) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
PubChem CID51114366
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2ccnc(N(C)C)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-18(2)14-10-12(8-9-17-14)16(20)22-13-6-4-11(5-7-13)15(19)21-3/h4-10H,1-3H3
InChIKeyBYTYLBCIGHUPSF-UHFFFAOYSA-N
XLogP2.15
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
CID 155292022
butyl 2-(dimethylamino)pyridine-4-carboxylate
CID 78968867
(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
CID 7802632
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
CID 114075012
(4-methoxycarbonylphenyl) 3-bromobenzoate
CID 2678010
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate (CID 51114366) is (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate is COC(=O)c1ccc(OC(=O)c2ccnc(N(C)C)c2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate?
The InChIKey is BYTYLBCIGHUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(2)14-10-12(8-9-17-14)16(20)22-13-6-4-11(5-7-13)15(19)21-3/h4-10H,1-3H3.
What are the key properties of (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate?
(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 51114366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).