N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide

C25H20N4O — CID 118870036

IUPACN-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)Nc3ccc(-c4ccc(C#N)nc4)cc3)c2c1
InChIInChI=1S/C25H20N4O/c1-15-10-16(2)24-22(11-15)23(12-17(3)28-24)25(30)29-20-7-4-18(5-8-20)19-6-9-21(13-26)27-14-19/h4-12,14H,1-3H3,(H,29,30)
InChIKeyLDCSFCMRHMYAGR-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.35
Rot. Bonds3

About N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide

N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide (PubChem CID 118870036) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide
PubChem CID118870036
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC NameN-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)Nc3ccc(-c4ccc(C#N)nc4)cc3)c2c1
InChIInChI=1S/C25H20N4O/c1-15-10-16(2)24-22(11-15)23(12-17(3)28-24)25(30)29-20-7-4-18(5-8-20)19-6-9-21(13-26)27-14-19/h4-12,14H,1-3H3,(H,29,30)
InChIKeyLDCSFCMRHMYAGR-UHFFFAOYSA-N
XLogP5.35
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide (CID 118870036) is N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)Nc3ccc(-c4ccc(C#N)nc4)cc3)c2c1.
What is the InChIKey of N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is LDCSFCMRHMYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-15-10-16(2)24-22(11-15)23(12-17(3)28-24)25(30)29-20-7-4-18(5-8-20)19-6-9-21(13-26)27-14-19/h4-12,14H,1-3H3,(H,29,30).
What are the key properties of N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide?
N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-cyano-3-pyridinyl)phenyl]-2,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 118870036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).