1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C10H13N3O2 — CID 20541680

IUPAC1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCCN)c(O)c1C#N
InChIInChI=1S/C10H13N3O2/c1-7-5-9(14)13(4-2-3-11)10(15)8(7)6-12/h5,15H,2-4,11H2,1H3
InChIKeyVYTZXZYNDFYYPC-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.08
Rot. Bonds3

About 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 20541680) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID20541680
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCCN)c(O)c1C#N
InChIInChI=1S/C10H13N3O2/c1-7-5-9(14)13(4-2-3-11)10(15)8(7)6-12/h5,15H,2-4,11H2,1H3
InChIKeyVYTZXZYNDFYYPC-UHFFFAOYSA-N
XLogP0.08
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CID 113347
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 170159
6-Hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3146302
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
6-Hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2825068
6-Hydroxy-4-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CID 3291815
1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 93716
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016231
2-Hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 54226750
3-Cyano-6-hydroxy-4-methyl-2-pyridone N,N-dimethylacetamide monosolvate
CID 139061924

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 20541680) is 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(CCCN)c(O)c1C#N.
What is the InChIKey of 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is VYTZXZYNDFYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-5-9(14)13(4-2-3-11)10(15)8(7)6-12/h5,15H,2-4,11H2,1H3.
What are the key properties of 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 20541680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).