3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one

C13H13N3O2 — CID 21293540

IUPAC3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(N)cc1C(=O)c1ccccn1
InChIInChI=1S/C13H13N3O2/c1-2-10-8(7-9(14)13(18)16-10)12(17)11-5-3-4-6-15-11/h3-7H,2,14H2,1H3,(H,16,18)
InChIKeyAEBARPUPOATXGN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.15
Rot. Bonds3

About 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one

3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one (PubChem CID 21293540) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
PubChem CID21293540
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(N)cc1C(=O)c1ccccn1
InChIInChI=1S/C13H13N3O2/c1-2-10-8(7-9(14)13(18)16-10)12(17)11-5-3-4-6-15-11/h3-7H,2,14H2,1H3,(H,16,18)
InChIKeyAEBARPUPOATXGN-UHFFFAOYSA-N
XLogP1.15
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-3-methyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
CID 21293564
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
(2-amino-4-nitrophenyl)-pyridin-2-ylmethanone
CID 118836157
(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone
CID 12939592
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
ethyl pyridine-2-carboxylate
CID 17307
ethyl 4-(pyridine-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 168911940
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one (CID 21293540) is 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one is CCc1[nH]c(=O)c(N)cc1C(=O)c1ccccn1.
What is the InChIKey of 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one?
The InChIKey is AEBARPUPOATXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-10-8(7-9(14)13(18)16-10)12(17)11-5-3-4-6-15-11/h3-7H,2,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one?
3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 21293540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).