2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide

C23H18N6O2 — CID 118678446

IUPAC2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)c3ccccc3n2)cnn1Cc1ccc(C#N)cc1
InChIInChI=1S/C23H18N6O2/c1-14-21(12-26-29(14)13-16-8-6-15(11-24)7-9-16)28-23(31)20-10-18(22(25)30)17-4-2-3-5-19(17)27-20/h2-10,12H,13H2,1H3,(H2,25,30)(H,28,31)
InChIKeySZMNHFSBWUAZPU-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.01
Rot. Bonds5

About 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide

2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118678446) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID118678446
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)c3ccccc3n2)cnn1Cc1ccc(C#N)cc1
InChIInChI=1S/C23H18N6O2/c1-14-21(12-26-29(14)13-16-8-6-15(11-24)7-9-16)28-23(31)20-10-18(22(25)30)17-4-2-3-5-19(17)27-20/h2-10,12H,13H2,1H3,(H2,25,30)(H,28,31)
InChIKeySZMNHFSBWUAZPU-UHFFFAOYSA-N
XLogP3.01
TPSA126.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118678467
2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118678442
2-N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171849
2-N-[1-[(3-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171356
2-N-[1-[(4-cyanophenyl)methyl]-3-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171875
4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-N-methylsulfonylquinoline-2,4-dicarboxamide
CID 118191426
2-N-[1-[2-(4-cyanophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172475
6-bromo-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118678367
4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 158943853
2-bromo-N-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171425
4-N-[1-[(4-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770531
4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6,7-difluoroquinoline-2,4-dicarboxamide
CID 118191156

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118678446) is 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1c(NC(=O)c2cc(C(N)=O)c3ccccc3n2)cnn1Cc1ccc(C#N)cc1.
What is the InChIKey of 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is SZMNHFSBWUAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-14-21(12-26-29(14)13-16-8-6-15(11-24)7-9-16)28-23(31)20-10-18(22(25)30)17-4-2-3-5-19(17)27-20/h2-10,12H,13H2,1H3,(H2,25,30)(H,28,31).
What are the key properties of 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118678446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).