1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one

C14H17N3O — CID 114955416

IUPAC1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one
SMILESCc1ccncc1CNCCn1ccccc1=O
InChIInChI=1S/C14H17N3O/c1-12-5-6-15-10-13(12)11-16-7-9-17-8-3-2-4-14(17)18/h2-6,8,10,16H,7,9,11H2,1H3
InChIKeyAXJXSSVLKYLJFI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one

1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one (PubChem CID 114955416) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one
PubChem CID114955416
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one
SMILESCc1ccncc1CNCCn1ccccc1=O
InChIInChI=1S/C14H17N3O/c1-12-5-6-15-10-13(12)11-16-7-9-17-8-3-2-4-14(17)18/h2-6,8,10,16H,7,9,11H2,1H3
InChIKeyAXJXSSVLKYLJFI-UHFFFAOYSA-N
XLogP1.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one (CID 114955416) is 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one is Cc1ccncc1CNCCn1ccccc1=O.
What is the InChIKey of 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one?
The InChIKey is AXJXSSVLKYLJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12-5-6-15-10-13(12)11-16-7-9-17-8-3-2-4-14(17)18/h2-6,8,10,16H,7,9,11H2,1H3.
What are the key properties of 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one?
1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 114955416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).