N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide

C26H21N5O — CID 172798162

IUPACN'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2cccc(C#N)c2)nc1N=CN(C)C
InChIInChI=1S/C26H21N5O/c1-17(32)22-14-23(19-9-10-24-20(13-19)8-5-11-28-24)25(30-26(22)29-16-31(2)3)21-7-4-6-18(12-21)15-27/h4-14,16H,1-3H3
InChIKeyQMJPYMVTPNONJW-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.26
Rot. Bonds5

About N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 172798162) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID172798162
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2cccc(C#N)c2)nc1N=CN(C)C
InChIInChI=1S/C26H21N5O/c1-17(32)22-14-23(19-9-10-24-20(13-19)8-5-11-28-24)25(30-26(22)29-16-31(2)3)21-7-4-6-18(12-21)15-27/h4-14,16H,1-3H3
InChIKeyQMJPYMVTPNONJW-UHFFFAOYSA-N
XLogP5.26
TPSA82.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 137423254
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
3-(3-acetyl-4-methylphenyl)benzonitrile
CID 70243297
3-quinolin-8-ylbenzonitrile
CID 4189045
3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658298
N-(3-cyanophenyl)-3-[3-(6-methyl-2-pyridinyl)-4-quinolin-6-ylpyrazol-1-yl]propanamide
CID 54580509
3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile
CID 115481316
3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
CID 139495116
3-(4-acetyl-3-chlorophenyl)benzonitrile
CID 82770869
6-(3-methylphenyl)quinoline
CID 4185278

Frequently Asked Questions

What is the IUPAC name of N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 172798162) is N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide is CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2cccc(C#N)c2)nc1N=CN(C)C.
What is the InChIKey of N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is QMJPYMVTPNONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-17(32)22-14-23(19-9-10-24-20(13-19)8-5-11-28-24)25(30-26(22)29-16-31(2)3)21-7-4-6-18(12-21)15-27/h4-14,16H,1-3H3.
What are the key properties of N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 419.49 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 172798162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).