4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde

C13H14N4O2 — CID 153392279

IUPAC4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde
SMILESCN(C)c1[nH]c(=O)ccc1Nc1ccncc1C=O
InChIInChI=1S/C13H14N4O2/c1-17(2)13-11(3-4-12(19)16-13)15-10-5-6-14-7-9(10)8-18/h3-8H,1-2H3,(H,14,15)(H,16,19)
InChIKeyLVGIUXOPGQPPFT-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.39
Rot. Bonds4

About 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde

4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde (PubChem CID 153392279) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde
PubChem CID153392279
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde
SMILESCN(C)c1[nH]c(=O)ccc1Nc1ccncc1C=O
InChIInChI=1S/C13H14N4O2/c1-17(2)13-11(3-4-12(19)16-13)15-10-5-6-14-7-9(10)8-18/h3-8H,1-2H3,(H,14,15)(H,16,19)
InChIKeyLVGIUXOPGQPPFT-UHFFFAOYSA-N
XLogP1.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethylamino)pyridine-3-carbaldehyde
CID 123882832
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
3-(5-chloro-2-fluorophenyl)-6-(dimethylamino)-5-[(3-methyl-4-pyridinyl)amino]-1H-pyridin-2-one;methyl formate
CID 153392191
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane
CID 153392321
N-(3-formyl-4-pyridinyl)-4-methoxybenzamide
CID 170144141
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352
3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde
CID 145048595
5-[(3-bromo-4-pyridinyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 104778147
4-(3-methylbutyl)pyridine-3-carbaldehyde
CID 82410364
4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
CID 96603971
2-(pyridin-3-ylamino)benzaldehyde
CID 125483915

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde (CID 153392279) is 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde is CN(C)c1[nH]c(=O)ccc1Nc1ccncc1C=O.
What is the InChIKey of 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde?
The InChIKey is LVGIUXOPGQPPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(2)13-11(3-4-12(19)16-13)15-10-5-6-14-7-9(10)8-18/h3-8H,1-2H3,(H,14,15)(H,16,19).
What are the key properties of 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde?
4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde has a molecular weight of 258.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 153392279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).