N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide

C23H18N4O — CID 139981144

IUPACN-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide
SMILESCc1cc2cc(C#N)ccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C23H18N4O/c1-16-11-19-12-17(14-24)4-9-22(19)27(16)21-7-5-20(6-8-21)26-23(28)13-18-3-2-10-25-15-18/h2-12,15H,13H2,1H3,(H,26,28)
InChIKeyXDUDKTBECMXVSM-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide

N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 139981144) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide
PubChem CID139981144
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide
SMILESCc1cc2cc(C#N)ccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C23H18N4O/c1-16-11-19-12-17(14-24)4-9-22(19)27(16)21-7-5-20(6-8-21)26-23(28)13-18-3-2-10-25-15-18/h2-12,15H,13H2,1H3,(H,26,28)
InChIKeyXDUDKTBECMXVSM-UHFFFAOYSA-N
XLogP4.39
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide (CID 139981144) is N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide is Cc1cc2cc(C#N)ccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1.
What is the InChIKey of N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is XDUDKTBECMXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16-11-19-12-17(14-24)4-9-22(19)27(16)21-7-5-20(6-8-21)26-23(28)13-18-3-2-10-25-15-18/h2-12,15H,13H2,1H3,(H,26,28).
What are the key properties of N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide?
N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 366.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 139981144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).