ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate

C20H23N3O3 — CID 109152217

IUPACethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NC3CCCC3)nc2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(25)14-7-10-17(11-8-14)23-19(24)15-9-12-18(21-13-15)22-16-5-3-4-6-16/h7-13,16H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyJOYYOAPWNGCXOS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.87
Rot. Bonds6

About ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate

ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109152217) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109152217
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NC3CCCC3)nc2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(25)14-7-10-17(11-8-14)23-19(24)15-9-12-18(21-13-15)22-16-5-3-4-6-16/h7-13,16H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyJOYYOAPWNGCXOS-UHFFFAOYSA-N
XLogP3.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109153832
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
ethyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884279

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate (CID 109152217) is ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(NC3CCCC3)nc2)cc1.
What is the InChIKey of ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is JOYYOAPWNGCXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-26-20(25)14-7-10-17(11-8-14)23-19(24)15-9-12-18(21-13-15)22-16-5-3-4-6-16/h7-13,16H,2-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109152217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).