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

C15H19N3O — CID 146274173

IUPAC4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one
SMILESCc1cc(CNCCCc2cc[nH]c(=O)c2)ccn1
InChIInChI=1S/C15H19N3O/c1-12-9-14(5-7-17-12)11-16-6-2-3-13-4-8-18-15(19)10-13/h4-5,7-10,16H,2-3,6,11H2,1H3,(H,18,19)
InChIKeyFWGDXGAKFSKSBB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.80
Rot. Bonds6

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

4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one (PubChem CID 146274173) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one
PubChem CID146274173
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one
SMILESCc1cc(CNCCCc2cc[nH]c(=O)c2)ccn1
InChIInChI=1S/C15H19N3O/c1-12-9-14(5-7-17-12)11-16-6-2-3-13-4-8-18-15(19)10-13/h4-5,7-10,16H,2-3,6,11H2,1H3,(H,18,19)
InChIKeyFWGDXGAKFSKSBB-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106752892
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106752860
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
4-butyl-2-methylpyridine;hydrobromide
CID 173184435
ethane;4-(methylaminomethyl)-1H-pyridin-2-one
CID 145154349
N'-[(2-chloro-4-pyridinyl)methyl]propane-1,3-diamine
CID 21271634
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 68696250
2-methyl-4-propylpyridine
CID 3358679
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
CID 175925815

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one (CID 146274173) is 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one is Cc1cc(CNCCCc2cc[nH]c(=O)c2)ccn1.
What is the InChIKey of 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one?
The InChIKey is FWGDXGAKFSKSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-9-14(5-7-17-12)11-16-6-2-3-13-4-8-18-15(19)10-13/h4-5,7-10,16H,2-3,6,11H2,1H3,(H,18,19).
What are the key properties of 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one?
4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one is sourced from PubChem (CID 146274173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).