2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-

C14H17N3O — CID 454397

IUPAC5-ethyl-6-methyl-3-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)NCC2=CC=CC=N2)C
InChIInChI=1S/C14H17N3O/c1-3-11-8-13(14(18)17-10(11)2)16-9-12-6-4-5-7-15-12/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKeyIXAOXJKGZNSFFD-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.60
Rot. Bonds4

About 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-

2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)- (PubChem CID 454397) has the molecular formula C14H17N3O and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3-(pyridin-2-ylmethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-
PubChem CID454397
Molecular FormulaC14H17N3O
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name5-ethyl-6-methyl-3-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)NCC2=CC=CC=N2)C
InChIInChI=1S/C14H17N3O/c1-3-11-8-13(14(18)17-10(11)2)16-9-12-6-4-5-7-15-12/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKeyIXAOXJKGZNSFFD-UHFFFAOYSA-N
XLogP1.60
TPSA54.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Milrinone
CID 4197
Amrinone
CID 3698
2-Pyridinecarboxamide
CID 15070
Bupicomide
CID 31447
Kdoam-25
CID 91810435
3-Acetamidopyridine
CID 79978
2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
Medorinone
CID 5362132

Frequently Asked Questions

What is the IUPAC name of 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-?
The IUPAC name of 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)- (CID 454397) is 5-ethyl-6-methyl-3-(pyridin-2-ylmethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-?
The canonical SMILES for 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)- is CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=N2)C.
What is the InChIKey of 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-?
The InChIKey is IXAOXJKGZNSFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11-8-13(14(18)17-10(11)2)16-9-12-6-4-5-7-15-12/h4-8,16H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-?
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)- has a molecular weight of 243.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)- is sourced from PubChem (CID 454397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).