ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate

C19H22N2O2 — CID 110453107

IUPACethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C19H22N2O2/c1-2-23-18(22)15-12-17(14-20-13-15)21-19(10-6-7-11-19)16-8-4-3-5-9-16/h3-5,8-9,12-14,21H,2,6-7,10-11H2,1H3
InChIKeySGTPLWBVGYRFBT-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.14
Rot. Bonds5

About ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate

ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate (PubChem CID 110453107) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
PubChem CID110453107
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nameethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C19H22N2O2/c1-2-23-18(22)15-12-17(14-20-13-15)21-19(10-6-7-11-19)16-8-4-3-5-9-16/h3-5,8-9,12-14,21H,2,6-7,10-11H2,1H3
InChIKeySGTPLWBVGYRFBT-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614
ethyl 2-[(1-acetyl-4-phenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
CID 118016639
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
ethyl 5-(3-acetylanilino)pyridine-3-carboxylate
CID 82535061
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 2-[[1-(4-bromophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129032933
ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
CID 110481846

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate (CID 110453107) is ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cncc(NC2(c3ccccc3)CCCC2)c1.
What is the InChIKey of ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate?
The InChIKey is SGTPLWBVGYRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18(22)15-12-17(14-20-13-15)21-19(10-6-7-11-19)16-8-4-3-5-9-16/h3-5,8-9,12-14,21H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate?
ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 110453107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).