4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

C13H18ClN3O2 — CID 46233458

IUPAC4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnccc1Cl
InChIInChI=1S/C13H18ClN3O2/c14-12-2-4-15-10-11(12)13(18)16-3-1-5-17-6-8-19-9-7-17/h2,4,10H,1,3,5-9H2,(H,16,18)
InChIKeyXYKBQKHBJFXZSH-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.19
Rot. Bonds5

About 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 46233458) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID46233458
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnccc1Cl
InChIInChI=1S/C13H18ClN3O2/c14-12-2-4-15-10-11(12)13(18)16-3-1-5-17-6-8-19-9-7-17/h2,4,10H,1,3,5-9H2,(H,16,18)
InChIKeyXYKBQKHBJFXZSH-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Nicorandil
CID 47528
Nicopholine
CID 68116
6-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 1228702
(2-Chloropyridin-3-yl)(morpholin-4-yl)methanone
CID 2063428
N-(2-hydroxyethyl)nicotinamide
CID 72663
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-Benzyl-6-chloro-nicotinamide
CID 857488
Glycine, N-(2-chloronicotinoyl)-
CID 53558
N3-Benzyl-2-chloronicotinamide
CID 2794855
6-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 17144214
5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide
CID 29786172
5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide
CID 43236315

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 46233458) is 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is XYKBQKHBJFXZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-12-2-4-15-10-11(12)13(18)16-3-1-5-17-6-8-19-9-7-17/h2,4,10H,1,3,5-9H2,(H,16,18).
What are the key properties of 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46233458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).