N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide

C16H16N4O3 — CID 51101816

IUPACN-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOCCn1ccc2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21
InChIInChI=1S/C16H16N4O3/c1-23-9-8-20-7-6-11-10-12(2-4-14(11)20)17-16(22)13-3-5-15(21)19-18-13/h2-7,10H,8-9H2,1H3,(H,17,22)(H,19,21)
InChIKeyOQLYBRKJVJRDOI-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.62
Rot. Bonds5

About N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 51101816) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID51101816
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOCCn1ccc2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21
InChIInChI=1S/C16H16N4O3/c1-23-9-8-20-7-6-11-10-12(2-4-14(11)20)17-16(22)13-3-5-15(21)19-18-13/h2-7,10H,8-9H2,1H3,(H,17,22)(H,19,21)
InChIKeyOQLYBRKJVJRDOI-UHFFFAOYSA-N
XLogP1.62
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
CID 56825864
1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71992317
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51129932
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 51101816) is N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide is COCCn1ccc2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OQLYBRKJVJRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-9-8-20-7-6-11-10-12(2-4-14(11)20)17-16(22)13-3-5-15(21)19-18-13/h2-7,10H,8-9H2,1H3,(H,17,22)(H,19,21).
What are the key properties of N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 51101816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).