3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one

C15H17N3O2 — CID 118155230

IUPAC3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one
SMILESNc1cccn(-c2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C15H17N3O2/c16-14-2-1-7-18(15(14)19)13-5-3-12(4-6-13)17-8-10-20-11-9-17/h1-7H,8-11,16H2
InChIKeyKHJXODQDPRYYQV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.26
Rot. Bonds2

About 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one

3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one (PubChem CID 118155230) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one
PubChem CID118155230
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one
SMILESNc1cccn(-c2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C15H17N3O2/c16-14-2-1-7-18(15(14)19)13-5-3-12(4-6-13)17-8-10-20-11-9-17/h1-7H,8-11,16H2
InChIKeyKHJXODQDPRYYQV-UHFFFAOYSA-N
XLogP1.26
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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CID 102533214
3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one
CID 166023531
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CID 63787858
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
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1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
2-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]ethanamine
CID 170868542
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137441431
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CID 70180295

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one (CID 118155230) is 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one is Nc1cccn(-c2ccc(N3CCOCC3)cc2)c1=O.
What is the InChIKey of 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
The InChIKey is KHJXODQDPRYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14-2-1-7-18(15(14)19)13-5-3-12(4-6-13)17-8-10-20-11-9-17/h1-7H,8-11,16H2.
What are the key properties of 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-morpholin-4-ylphenyl)pyridin-2-one is sourced from PubChem (CID 118155230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).