3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one

C12H16N4O — CID 90261395

IUPAC3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one
SMILESCN(C)C1=CC=CC(c2c[nH]c(=O)c(N)c2)N1
InChIInChI=1S/C12H16N4O/c1-16(2)11-5-3-4-10(15-11)8-6-9(13)12(17)14-7-8/h3-7,10,15H,13H2,1-2H3,(H,14,17)
InChIKeyJZTHUMDRGPHXDR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.56
Rot. Bonds2

About 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one

3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one (PubChem CID 90261395) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one
PubChem CID90261395
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one
SMILESCN(C)C1=CC=CC(c2c[nH]c(=O)c(N)c2)N1
InChIInChI=1S/C12H16N4O/c1-16(2)11-5-3-4-10(15-11)8-6-9(13)12(17)14-7-8/h3-7,10,15H,13H2,1-2H3,(H,14,17)
InChIKeyJZTHUMDRGPHXDR-UHFFFAOYSA-N
XLogP0.56
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1,5-dimethyl-2-(methylamino)-2H-pyridin-6-yl]-3-fluoro-1H-pyridin-2-one
CID 132125452
1-[1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 72046977
1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 95977197
1-[(2S)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 95977198
N-methyl-11-(methylamino)-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
CID 57903897
11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
CID 58049578
2-methyl-2-(4-methylpiperazin-1-yl)-1H-pyridine-4-carboxamide
CID 70219017
3,7,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
CID 70978549
(2Z,4E)-3-amino-2-ethenyl-N-[(2Z,4Z,6E)-7-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]hepta-2,4,6-trien-3-yl]hexa-2,4-dienamide
CID 87073948
3-amino-4-[(4E,6E)-nona-4,6-dien-3-yl]-1H-pyrazine-2-carboxamide
CID 88388721
3-amino-5-(1,2-dihydropyridin-4-yl)-1H-pyridin-2-one
CID 90261384
3-Amino-1-[2-(3,5-dimethylpiperazin-1-yl)ethyl]-5-methylpyridin-2-one
CID 130269387

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one (CID 90261395) is 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one is CN(C)C1=CC=CC(c2c[nH]c(=O)c(N)c2)N1.
What is the InChIKey of 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one?
The InChIKey is JZTHUMDRGPHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(2)11-5-3-4-10(15-11)8-6-9(13)12(17)14-7-8/h3-7,10,15H,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one?
3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90261395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).