6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile

C23H23N3O3 — CID 50884927

IUPAC6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile
SMILESCc1c(CN(c2ccccc2)c2ccccc2)c(O)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C23H23N3O3/c1-17-20(15-24)22(28)25(13-8-14-27)23(29)21(17)16-26(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,27,29H,8,13-14,16H2,1H3
InChIKeySVQPXFYBTXHAJF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.45
Rot. Bonds7

About 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile

6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile (PubChem CID 50884927) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile
PubChem CID50884927
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile
SMILESCc1c(CN(c2ccccc2)c2ccccc2)c(O)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C23H23N3O3/c1-17-20(15-24)22(28)25(13-8-14-27)23(29)21(17)16-26(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,27,29H,8,13-14,16H2,1H3
InChIKeySVQPXFYBTXHAJF-UHFFFAOYSA-N
XLogP3.45
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]-1-prop-2-enylpyridine-3-carbonitrile
CID 50884981
5-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 7741182
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888720
5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 4770438
5-amino-2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile;2-(4-aminophenyl)ethanol
CID 171502756
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
CID 50887179
1-amino-5-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 71668583
1-butyl-5-[[4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 136740461
6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19117086
1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115357
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile (CID 50884927) is 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile is Cc1c(CN(c2ccccc2)c2ccccc2)c(O)n(CCCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile?
The InChIKey is SVQPXFYBTXHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-20(15-24)22(28)25(13-8-14-27)23(29)21(17)16-26(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,27,29H,8,13-14,16H2,1H3.
What are the key properties of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile?
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 50884927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).