N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide

C18H27N3O2 — CID 3245514

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c22-18(15-5-2-1-3-6-15)20-14-17(16-7-4-8-19-13-16)21-9-11-23-12-10-21/h4,7-8,13,15,17H,1-3,5-6,9-12,14H2,(H,20,22)
InChIKeyKFHAJBKMLSDYTQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.15
Rot. Bonds5

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide (PubChem CID 3245514) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide
PubChem CID3245514
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c22-18(15-5-2-1-3-6-15)20-14-17(16-7-4-8-19-13-16)21-9-11-23-12-10-21/h4,7-8,13,15,17H,1-3,5-6,9-12,14H2,(H,20,22)
InChIKeyKFHAJBKMLSDYTQ-UHFFFAOYSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide (CID 3245514) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide is O=C(NCC(c1cccnc1)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide?
The InChIKey is KFHAJBKMLSDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(15-5-2-1-3-6-15)20-14-17(16-7-4-8-19-13-16)21-9-11-23-12-10-21/h4,7-8,13,15,17H,1-3,5-6,9-12,14H2,(H,20,22).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 3245514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).