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

C15H21N3O3 — CID 61044227

IUPACethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)12-4-3-9-17-14(12)18-11-7-5-10(6-8-11)13(16)19/h3-4,9-11H,2,5-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyOWVJPULAAGLMEL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds5

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

ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate (PubChem CID 61044227) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
PubChem CID61044227
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)12-4-3-9-17-14(12)18-11-7-5-10(6-8-11)13(16)19/h3-4,9-11H,2,5-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyOWVJPULAAGLMEL-UHFFFAOYSA-N
XLogP1.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate (CID 61044227) is ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate?
The InChIKey is OWVJPULAAGLMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-15(20)12-4-3-9-17-14(12)18-11-7-5-10(6-8-11)13(16)19/h3-4,9-11H,2,5-8H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate?
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 61044227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).