6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile

C15H11N5O3 — CID 3545752

IUPAC6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C15H11N5O3/c1-7-9(5-16)13(21)20-14(22)10(7)6-17-8-2-3-11-12(4-8)19-15(23)18-11/h2-4,6H,1H3,(H2,18,19,23)(H2,20,21,22)/b17-6+
InChIKeySVQSBBREHPLXBR-UBKPWBPPSA-N
MW309.29 g/mol
LogP1.18
Rot. Bonds2

About 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile

6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile (PubChem CID 3545752) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile
PubChem CID3545752
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C15H11N5O3/c1-7-9(5-16)13(21)20-14(22)10(7)6-17-8-2-3-11-12(4-8)19-15(23)18-11/h2-4,6H,1H3,(H2,18,19,23)(H2,20,21,22)/b17-6+
InChIKeySVQSBBREHPLXBR-UBKPWBPPSA-N
XLogP1.18
TPSA137.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-4-methylbenzoic acid
CID 135589265
5-[(4-bromo-2-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 4166133
5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 135828600
4-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 3120738
5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4516447
6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 1202925
5-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4056938
1-(4-bromo-3-methylphenyl)-6-hydroxy-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 4150796
5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4600415
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 671066
6-hydroxy-5-[(E)-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 135589288

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile (CID 3545752) is 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile is Cc1c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile?
The InChIKey is SVQSBBREHPLXBR-UBKPWBPPSA-N. The full InChI is InChI=1S/C15H11N5O3/c1-7-9(5-16)13(21)20-14(22)10(7)6-17-8-2-3-11-12(4-8)19-15(23)18-11/h2-4,6H,1H3,(H2,18,19,23)(H2,20,21,22)/b17-6+.
What are the key properties of 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile?
6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile has a molecular weight of 309.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-oxo-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 3545752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).