N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide

C18H18N4O2 — CID 122277980

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2/c23-17-8-7-15(12-5-6-12)21-22(17)10-9-19-18(24)14-11-20-16-4-2-1-3-13(14)16/h1-4,7-8,11-12,20H,5-6,9-10H2,(H,19,24)
InChIKeyDBQVUPGYZTXCPY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 122277980) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID122277980
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2/c23-17-8-7-15(12-5-6-12)21-22(17)10-9-19-18(24)14-11-20-16-4-2-1-3-13(14)16/h1-4,7-8,11-12,20H,5-6,9-10H2,(H,19,24)
InChIKeyDBQVUPGYZTXCPY-UHFFFAOYSA-N
XLogP2.03
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122278053
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
CID 122278049
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122277998
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122277985

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide (CID 122277980) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide is O=C(NCCn1nc(C2CC2)ccc1=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is DBQVUPGYZTXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17-8-7-15(12-5-6-12)21-22(17)10-9-19-18(24)14-11-20-16-4-2-1-3-13(14)16/h1-4,7-8,11-12,20H,5-6,9-10H2,(H,19,24).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 122277980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).