2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide

C28H29N5O3 — CID 174549002

IUPAC2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
SMILESCCCCc1ccccc1C(=O)Nc1cccc(-c2cn(C)c(=O)c(N=c3ccn(O)cc3)n2)c1C
InChIInChI=1S/C28H29N5O3/c1-4-5-9-20-10-6-7-11-23(20)27(34)31-24-13-8-12-22(19(24)2)25-18-32(3)28(35)26(30-25)29-21-14-16-33(36)17-15-21/h6-8,10-18,36H,4-5,9H2,1-3H3,(H,31,34)
InChIKeyPWYWYOIEUGXQPU-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.62
Rot. Bonds7

About 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide

2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide (PubChem CID 174549002) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
PubChem CID174549002
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
SMILESCCCCc1ccccc1C(=O)Nc1cccc(-c2cn(C)c(=O)c(N=c3ccn(O)cc3)n2)c1C
InChIInChI=1S/C28H29N5O3/c1-4-5-9-20-10-6-7-11-23(20)27(34)31-24-13-8-12-22(19(24)2)25-18-32(3)28(35)26(30-25)29-21-14-16-33(36)17-15-21/h6-8,10-18,36H,4-5,9H2,1-3H3,(H,31,34)
InChIKeyPWYWYOIEUGXQPU-UHFFFAOYSA-N
XLogP4.62
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-[2-methyl-3-[4-methyl-6-(4-nitroanilino)-5-oxopyrazin-2-yl]phenyl]benzamide
CID 174563976
2-butyl-N-[3-[6-(4-fluoro-3-nitroanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 174549037
2-butyl-N-[3-[6-[3-[[cyanomethyl(methyl)amino]methyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 174549019
2-butyl-N-[3-[4-ethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 174548989
2-butyl-N-[2-methyl-3-[1-methyl-5-[(2-methylsulfonylpyrimidin-4-yl)amino]-6-oxopyridazin-3-yl]phenyl]benzamide
CID 174709251
2-butyl-N-[3-[8-[4-(N,N'-dimethylcarbamimidoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 118071911
2-butyl-N-[2-fluoro-3-[4-methyl-6-[4-[[methyl(methylsulfonyl)amino]methyl]anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 174548975
2-butyl-N-[3-[5-[[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-methylphenyl]benzamide
CID 150665501
2-butyl-N-[2-fluoro-3-[6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]phenyl]benzamide
CID 174563969
2-butyl-N-[2-fluoro-3-[4-methyl-6-[4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 175258599
2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide
CID 175258596
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide?
The IUPAC name of 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide (CID 174549002) is 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide?
The canonical SMILES for 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide is CCCCc1ccccc1C(=O)Nc1cccc(-c2cn(C)c(=O)c(N=c3ccn(O)cc3)n2)c1C.
What is the InChIKey of 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide?
The InChIKey is PWYWYOIEUGXQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-4-5-9-20-10-6-7-11-23(20)27(34)31-24-13-8-12-22(19(24)2)25-18-32(3)28(35)26(30-25)29-21-14-16-33(36)17-15-21/h6-8,10-18,36H,4-5,9H2,1-3H3,(H,31,34).
What are the key properties of 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide?
2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[3-[6-[(1-hydroxy-4-pyridinylidene)amino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 174549002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).