N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide

C26H22N6O — CID 176509994

IUPACN-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide
SMILESCc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C26H22N6O/c1-17-7-3-4-11-22(17)30-25-23(13-19(14-28-25)20-15-29-32(2)16-20)31-26(33)21-10-5-8-18-9-6-12-27-24(18)21/h3-16H,1-2H3,(H,28,30)(H,31,33)
InChIKeyZZBFUFRLIWLKFY-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.33
Rot. Bonds5

About N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide

N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide (PubChem CID 176509994) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide
PubChem CID176509994
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC NameN-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide
SMILESCc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C26H22N6O/c1-17-7-3-4-11-22(17)30-25-23(13-19(14-28-25)20-15-29-32(2)16-20)31-26(33)21-10-5-8-18-9-6-12-27-24(18)21/h3-16H,1-2H3,(H,28,30)(H,31,33)
InChIKeyZZBFUFRLIWLKFY-UHFFFAOYSA-N
XLogP5.33
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide
CID 176509985
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 167512016
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
CID 167511967
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide (CID 176509994) is N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide is Cc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide?
The InChIKey is ZZBFUFRLIWLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-17-7-3-4-11-22(17)30-25-23(13-19(14-28-25)20-15-29-32(2)16-20)31-26(33)21-10-5-8-18-9-6-12-27-24(18)21/h3-16H,1-2H3,(H,28,30)(H,31,33).
What are the key properties of N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide?
N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide is sourced from PubChem (CID 176509994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).