2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one

C20H25N3O2 — CID 167964780

IUPAC2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(Cc2ccccn2)cc1NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O2/c1-15-6-7-17(13-18-5-3-4-8-21-18)14-19(15)22-16(2)20(24)23-9-11-25-12-10-23/h3-8,14,16,22H,9-13H2,1-2H3
InChIKeyYUDGFPWZAVJCCL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one

2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one (PubChem CID 167964780) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one
PubChem CID167964780
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(Cc2ccccn2)cc1NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O2/c1-15-6-7-17(13-18-5-3-4-8-21-18)14-19(15)22-16(2)20(24)23-9-11-25-12-10-23/h3-8,14,16,22H,9-13H2,1-2H3
InChIKeyYUDGFPWZAVJCCL-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 133447521
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
2-(2-methyl-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 115571728
2-[(8-methylquinazolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 133388467

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one (CID 167964780) is 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one is Cc1ccc(Cc2ccccn2)cc1NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YUDGFPWZAVJCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-7-17(13-18-5-3-4-8-21-18)14-19(15)22-16(2)20(24)23-9-11-25-12-10-23/h3-8,14,16,22H,9-13H2,1-2H3.
What are the key properties of 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one?
2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 167964780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).