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

C22H17N5O2 — CID 18617617

IUPACN-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESN#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccc(=O)[nH]n4)cc3)cc12
InChIInChI=1S/C22H17N5O2/c23-12-17-13-25-20-6-1-14(11-18(17)20)9-10-24-22(29)16-4-2-15(3-5-16)19-7-8-21(28)27-26-19/h1-8,11,13,25H,9-10H2,(H,24,29)(H,27,28)
InChIKeyJVIRVAKUWJKVPZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.76
Rot. Bonds5

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

N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 18617617) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID18617617
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESN#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccc(=O)[nH]n4)cc3)cc12
InChIInChI=1S/C22H17N5O2/c23-12-17-13-25-20-6-1-14(11-18(17)20)9-10-24-22(29)16-4-2-15(3-5-16)19-7-8-21(28)27-26-19/h1-8,11,13,25H,9-10H2,(H,24,29)(H,27,28)
InChIKeyJVIRVAKUWJKVPZ-UHFFFAOYSA-N
XLogP2.76
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 18617617) is N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide is N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccc(=O)[nH]n4)cc3)cc12.
What is the InChIKey of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is JVIRVAKUWJKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c23-12-17-13-25-20-6-1-14(11-18(17)20)9-10-24-22(29)16-4-2-15(3-5-16)19-7-8-21(28)27-26-19/h1-8,11,13,25H,9-10H2,(H,24,29)(H,27,28).
What are the key properties of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide?
N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 383.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 18617617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).