2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate

C20H23N3O3 — CID 3052986

IUPAC2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
SMILESO=C(OCCN(C(=O)c1cccnc1)C1CCCCC1)c1cccnc1
InChIInChI=1S/C20H23N3O3/c24-19(16-6-4-10-21-14-16)23(18-8-2-1-3-9-18)12-13-26-20(25)17-7-5-11-22-15-17/h4-7,10-11,14-15,18H,1-3,8-9,12-13H2
InChIKeyFPDOJSOCWAMTLN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.11
Rot. Bonds6

About 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate

2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate (PubChem CID 3052986) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
PubChem CID3052986
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
SMILESO=C(OCCN(C(=O)c1cccnc1)C1CCCCC1)c1cccnc1
InChIInChI=1S/C20H23N3O3/c24-19(16-6-4-10-21-14-16)23(18-8-2-1-3-9-18)12-13-26-20(25)17-7-5-11-22-15-17/h4-7,10-11,14-15,18H,1-3,8-9,12-13H2
InChIKeyFPDOJSOCWAMTLN-UHFFFAOYSA-N
XLogP3.11
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl Nicotinate
CID 69188
Benzyl Nicotinate
CID 7191
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Nicametate
CID 71650
Hexyl nicotinate
CID 90202
Butyl nicotinate
CID 81353
Hepronicate
CID 3588
Myristyl Nicotinate
CID 531641
Octyl nicotinate
CID 96462
Nicotinic acid, pentyl ester
CID 348507
Propyl nicotinate
CID 24331
Ethyl 2-(4-morpholinyl)-5-[(3-pyridinylcarbonyl)amino]benzoate
CID 3162289

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The IUPAC name of 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate (CID 3052986) is 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate is O=C(OCCN(C(=O)c1cccnc1)C1CCCCC1)c1cccnc1.
What is the InChIKey of 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The InChIKey is FPDOJSOCWAMTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(16-6-4-10-21-14-16)23(18-8-2-1-3-9-18)12-13-26-20(25)17-7-5-11-22-15-17/h4-7,10-11,14-15,18H,1-3,8-9,12-13H2.
What are the key properties of 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate is sourced from PubChem (CID 3052986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).