N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide

C28H22N6O — CID 54580509

IUPACN-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide
SMILESCc1cccc(-c2nn(CCC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C28H22N6O/c1-19-5-2-9-26(31-19)28-24(21-10-11-25-22(16-21)7-4-13-30-25)18-34(33-28)14-12-27(35)32-23-8-3-6-20(15-23)17-29/h2-11,13,15-16,18H,12,14H2,1H3,(H,32,35)
InChIKeyHAZZWEMAAUOOHP-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.37
Rot. Bonds6

About N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide

N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide (PubChem CID 54580509) has the molecular formula C28H22N6O and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide
PubChem CID54580509
Molecular FormulaC28H22N6O
Molecular Weight458.53 g/mol
Exact Mass458.19
IUPAC NameN-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide
SMILESCc1cccc(-c2nn(CCC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C28H22N6O/c1-19-5-2-9-26(31-19)28-24(21-10-11-25-22(16-21)7-4-13-30-25)18-34(33-28)14-12-27(35)32-23-8-3-6-20(15-23)17-29/h2-11,13,15-16,18H,12,14H2,1H3,(H,32,35)
InChIKeyHAZZWEMAAUOOHP-UHFFFAOYSA-N
XLogP5.37
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide (CID 54580509) is N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide is Cc1cccc(-c2nn(CCC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide?
The InChIKey is HAZZWEMAAUOOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O/c1-19-5-2-9-26(31-19)28-24(21-10-11-25-22(16-21)7-4-13-30-25)18-34(33-28)14-12-27(35)32-23-8-3-6-20(15-23)17-29/h2-11,13,15-16,18H,12,14H2,1H3,(H,32,35).
What are the key properties of N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide?
N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide has a molecular weight of 458.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide is sourced from PubChem (CID 54580509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).