5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide

C15H22ClN3O2 — CID 43167979

IUPAC5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
SMILESO=C(CCCCCl)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H22ClN3O2/c16-6-2-1-3-15(20)18-12-13-4-5-14(17-11-13)19-7-9-21-10-8-19/h4-5,11H,1-3,6-10,12H2,(H,18,20)
InChIKeySXCIJNMCAVLTTJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.94
Rot. Bonds7

About 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide

5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide (PubChem CID 43167979) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
PubChem CID43167979
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
SMILESO=C(CCCCCl)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H22ClN3O2/c16-6-2-1-3-15(20)18-12-13-4-5-14(17-11-13)19-7-9-21-10-8-19/h4-5,11H,1-3,6-10,12H2,(H,18,20)
InChIKeySXCIJNMCAVLTTJ-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 16615005
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 17489922
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
3-indol-1-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 18139649
(1R)-2,2-dichloro-1-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 42473931
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide (CID 43167979) is 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide is O=C(CCCCCl)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The InChIKey is SXCIJNMCAVLTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-6-2-1-3-15(20)18-12-13-4-5-14(17-11-13)19-7-9-21-10-8-19/h4-5,11H,1-3,6-10,12H2,(H,18,20).
What are the key properties of 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide has a molecular weight of 311.81 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 43167979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).