N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide

C18H21N3O2 — CID 59673077

IUPACN-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H21N3O2/c22-18(20-9-10-21-11-13-23-14-12-21)16-6-4-15(5-7-16)17-3-1-2-8-19-17/h1-8H,9-14H2,(H,20,22)
InChIKeyRNMNRTDFICDVQJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.81
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide

N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide (PubChem CID 59673077) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
PubChem CID59673077
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H21N3O2/c22-18(20-9-10-21-11-13-23-14-12-21)16-6-4-15(5-7-16)17-3-1-2-8-19-17/h1-8H,9-14H2,(H,20,22)
InChIKeyRNMNRTDFICDVQJ-UHFFFAOYSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide (CID 59673077) is N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide is O=C(NCCN1CCOCC1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide?
The InChIKey is RNMNRTDFICDVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(20-9-10-21-11-13-23-14-12-21)16-6-4-15(5-7-16)17-3-1-2-8-19-17/h1-8H,9-14H2,(H,20,22).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide?
N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 1.81, 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-ylethyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 59673077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).