2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

C18H28ClN3O2 — CID 47837922

IUPAC2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C18H28ClN3O2/c1-2-3-4-5-8-22(10-9-21-11-13-24-14-12-21)18(23)16-6-7-20-17(19)15-16/h6-7,15H,2-5,8-14H2,1H3
InChIKeyGSIWFBFMCYJWRE-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.09
Rot. Bonds9

About 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 47837922) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID47837922
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C18H28ClN3O2/c1-2-3-4-5-8-22(10-9-21-11-13-24-14-12-21)18(23)16-6-7-20-17(19)15-16/h6-7,15H,2-5,8-14H2,1H3
InChIKeyGSIWFBFMCYJWRE-UHFFFAOYSA-N
XLogP3.09
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
CID 47076439
N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47074677
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
CID 4168501
3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138055
2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
CID 43611005
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
3-methyl-N,N-di(undecyl)benzamide
CID 533252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (CID 47837922) is 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is CCCCCCN(CCN1CCOCC1)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is GSIWFBFMCYJWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-2-3-4-5-8-22(10-9-21-11-13-24-14-12-21)18(23)16-6-7-20-17(19)15-16/h6-7,15H,2-5,8-14H2,1H3.
What are the key properties of 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 353.89 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 47837922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).