2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide

C16H16N6O4 — CID 166396922

IUPAC2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide
SMILESNC(=O)Nc1ccccc1C(=O)NC1CN(C(=O)c2ccn[nH]c2=O)C1
InChIInChI=1S/C16H16N6O4/c17-16(26)20-12-4-2-1-3-10(12)13(23)19-9-7-22(8-9)15(25)11-5-6-18-21-14(11)24/h1-6,9H,7-8H2,(H,19,23)(H,21,24)(H3,17,20,26)
InChIKeyNJHUQQHUHWJPFZ-UHFFFAOYSA-N
MW356.34 g/mol
LogP-0.49
Rot. Bonds4

About 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide

2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide (PubChem CID 166396922) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide
PubChem CID166396922
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide
SMILESNC(=O)Nc1ccccc1C(=O)NC1CN(C(=O)c2ccn[nH]c2=O)C1
InChIInChI=1S/C16H16N6O4/c17-16(26)20-12-4-2-1-3-10(12)13(23)19-9-7-22(8-9)15(25)11-5-6-18-21-14(11)24/h1-6,9H,7-8H2,(H,19,23)(H,21,24)(H3,17,20,26)
InChIKeyNJHUQQHUHWJPFZ-UHFFFAOYSA-N
XLogP-0.49
TPSA150.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridazine-5-carboxamide
CID 23566951
N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
CID 121200746
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-(1-carbamoylazetidin-3-yl)-3-hydroxypyridine-2-carboxamide
CID 167794029
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 27926933
1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17223536
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658042
2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
CID 60868065

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide (CID 166396922) is 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide is NC(=O)Nc1ccccc1C(=O)NC1CN(C(=O)c2ccn[nH]c2=O)C1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide?
The InChIKey is NJHUQQHUHWJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4/c17-16(26)20-12-4-2-1-3-10(12)13(23)19-9-7-22(8-9)15(25)11-5-6-18-21-14(11)24/h1-6,9H,7-8H2,(H,19,23)(H,21,24)(H3,17,20,26).
What are the key properties of 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide?
2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide has a molecular weight of 356.34 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(6-oxo-1H-pyridazine-5-carbonyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 166396922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).