1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one

C14H16N4O2 — CID 167694273

IUPAC1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one
SMILESCNc1nc(Oc2ccnc(CC(C)=O)c2)ccc1N
InChIInChI=1S/C14H16N4O2/c1-9(19)7-10-8-11(5-6-17-10)20-13-4-3-12(15)14(16-2)18-13/h3-6,8H,7,15H2,1-2H3,(H,16,18)
InChIKeyQGMUSSGVNNVOJX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.02
Rot. Bonds5

About 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one

1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one (PubChem CID 167694273) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one
PubChem CID167694273
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one
SMILESCNc1nc(Oc2ccnc(CC(C)=O)c2)ccc1N
InChIInChI=1S/C14H16N4O2/c1-9(19)7-10-8-11(5-6-17-10)20-13-4-3-12(15)14(16-2)18-13/h3-6,8H,7,15H2,1-2H3,(H,16,18)
InChIKeyQGMUSSGVNNVOJX-UHFFFAOYSA-N
XLogP2.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine
CID 68661487
1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one;5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one;[5-cyclopropyl-1-(oxan-3-yl)-2-oxo-3-pyridinyl] thiocyanate;methane
CID 167694272
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
4-(4-methyl-3-nitrophenoxy)pyridin-2-amine;1-[4-(4-methyl-3-nitrophenoxy)-2-pyridinyl]propan-2-one
CID 160671563
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
CID 147791657
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
1-(4-tert-butyl-2-pyridinyl)propan-2-one
CID 91432972
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167545220
5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one
CID 167570552
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;6-methoxy-2-N-methylpyridine-2,3-diamine
CID 162070058

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one (CID 167694273) is 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one is CNc1nc(Oc2ccnc(CC(C)=O)c2)ccc1N.
What is the InChIKey of 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one?
The InChIKey is QGMUSSGVNNVOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(19)7-10-8-11(5-6-17-10)20-13-4-3-12(15)14(16-2)18-13/h3-6,8H,7,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one?
1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167694273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).