N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide

C24H20N4O2 — CID 18617494

IUPACN-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESCC(Cc1ccc2[nH]cc(C#N)c2c1)NC(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C24H20N4O2/c1-15(10-16-2-8-22-21(11-16)20(12-25)14-26-22)28-24(30)18-5-3-17(4-6-18)19-7-9-23(29)27-13-19/h2-9,11,13-15,26H,10H2,1H3,(H,27,29)(H,28,30)
InChIKeyVZTFAKOSXBSKCA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide

N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 18617494) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide
PubChem CID18617494
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESCC(Cc1ccc2[nH]cc(C#N)c2c1)NC(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C24H20N4O2/c1-15(10-16-2-8-22-21(11-16)20(12-25)14-26-22)28-24(30)18-5-3-17(4-6-18)19-7-9-23(29)27-13-19/h2-9,11,13-15,26H,10H2,1H3,(H,27,29)(H,28,30)
InChIKeyVZTFAKOSXBSKCA-UHFFFAOYSA-N
XLogP3.76
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide (CID 18617494) is N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide is CC(Cc1ccc2[nH]cc(C#N)c2c1)NC(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is VZTFAKOSXBSKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15(10-16-2-8-22-21(11-16)20(12-25)14-26-22)28-24(30)18-5-3-17(4-6-18)19-7-9-23(29)27-13-19/h2-9,11,13-15,26H,10H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide?
N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 396.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-1H-indol-5-yl)propan-2-yl]-4-(6-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 18617494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).