ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate

C24H24N2O5 — CID 44764821

IUPACethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
SMILESCCCOc1ccc(C(=O)Nc2cccc(Oc3ncccc3C(=O)OCC)c2)cc1
InChIInChI=1S/C24H24N2O5/c1-3-15-30-19-12-10-17(11-13-19)22(27)26-18-7-5-8-20(16-18)31-23-21(9-6-14-25-23)24(28)29-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,26,27)
InChIKeyZTUCHJORUVDOOS-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.09
Rot. Bonds9

About ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate

ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate (PubChem CID 44764821) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
PubChem CID44764821
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
SMILESCCCOc1ccc(C(=O)Nc2cccc(Oc3ncccc3C(=O)OCC)c2)cc1
InChIInChI=1S/C24H24N2O5/c1-3-15-30-19-12-10-17(11-13-19)22(27)26-18-7-5-8-20(16-18)31-23-21(9-6-14-25-23)24(28)29-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,26,27)
InChIKeyZTUCHJORUVDOOS-UHFFFAOYSA-N
XLogP5.09
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate
CID 44764877
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate (CID 44764821) is ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate is CCCOc1ccc(C(=O)Nc2cccc(Oc3ncccc3C(=O)OCC)c2)cc1.
What is the InChIKey of ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate?
The InChIKey is ZTUCHJORUVDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-15-30-19-12-10-17(11-13-19)22(27)26-18-7-5-8-20(16-18)31-23-21(9-6-14-25-23)24(28)29-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,26,27).
What are the key properties of ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate?
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 44764821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).