3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide

C14H20ClN3O2 — CID 62727165

IUPAC3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESCC(CCl)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H20ClN3O2/c1-11(8-15)14(19)17-10-12-2-3-13(16-9-12)18-4-6-20-7-5-18/h2-3,9,11H,4-8,10H2,1H3,(H,17,19)
InChIKeyWDSPCGHTCSLMKS-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.41
Rot. Bonds5

About 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide

3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide (PubChem CID 62727165) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
PubChem CID62727165
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESCC(CCl)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H20ClN3O2/c1-11(8-15)14(19)17-10-12-2-3-13(16-9-12)18-4-6-20-7-5-18/h2-3,9,11H,4-8,10H2,1H3,(H,17,19)
InChIKeyWDSPCGHTCSLMKS-UHFFFAOYSA-N
XLogP1.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
(1R)-2,2-dichloro-1-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 42473931
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide (CID 62727165) is 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide is CC(CCl)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is WDSPCGHTCSLMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-11(8-15)14(19)17-10-12-2-3-13(16-9-12)18-4-6-20-7-5-18/h2-3,9,11H,4-8,10H2,1H3,(H,17,19).
What are the key properties of 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 297.79 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 62727165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).