2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide

C22H19N5O2 — CID 167973640

IUPAC2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)c1Cc1ccccc1
InChIInChI=1S/C22H19N5O2/c1-27-19(11-14-7-3-2-4-8-14)17(13-24-27)22(29)26-20-12-16(21(23)28)15-9-5-6-10-18(15)25-20/h2-10,12-13H,11H2,1H3,(H2,23,28)(H,25,26,29)
InChIKeyJNLJSMDQMNLGOR-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.91
Rot. Bonds5

About 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide

2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide (PubChem CID 167973640) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
PubChem CID167973640
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)c1Cc1ccccc1
InChIInChI=1S/C22H19N5O2/c1-27-19(11-14-7-3-2-4-8-14)17(13-24-27)22(29)26-20-12-16(21(23)28)15-9-5-6-10-18(15)25-20/h2-10,12-13H,11H2,1H3,(H2,23,28)(H,25,26,29)
InChIKeyJNLJSMDQMNLGOR-UHFFFAOYSA-N
XLogP2.91
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
CID 167854994
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
CID 110472119
5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 166341062
5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 166233654
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166216619
5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
CID 166233967
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166324368
5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 14747589
5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166233647
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 166237556
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
CID 63885442

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide?
The IUPAC name of 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide (CID 167973640) is 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide is Cn1ncc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)c1Cc1ccccc1.
What is the InChIKey of 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide?
The InChIKey is JNLJSMDQMNLGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-27-19(11-14-7-3-2-4-8-14)17(13-24-27)22(29)26-20-12-16(21(23)28)15-9-5-6-10-18(15)25-20/h2-10,12-13H,11H2,1H3,(H2,23,28)(H,25,26,29).
What are the key properties of 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide?
2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 167973640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).