N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide

C22H24N4O4 — CID 169417784

IUPACN-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1c(CNC(=O)C2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)oc2ccccc12
InChIInChI=1S/C22H24N4O4/c1-13-16-4-2-3-5-18(16)30-19(13)12-23-21(28)14-6-8-15(9-7-14)24-22(29)17-10-11-20(27)26-25-17/h2-5,10-11,14-15H,6-9,12H2,1H3,(H,23,28)(H,24,29)(H,26,27)
InChIKeyFUOQADPPVFCMKK-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.43
Rot. Bonds5

About N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 169417784) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID169417784
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1c(CNC(=O)C2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)oc2ccccc12
InChIInChI=1S/C22H24N4O4/c1-13-16-4-2-3-5-18(16)30-19(13)12-23-21(28)14-6-8-15(9-7-14)24-22(29)17-10-11-20(27)26-25-17/h2-5,10-11,14-15H,6-9,12H2,1H3,(H,23,28)(H,24,29)(H,26,27)
InChIKeyFUOQADPPVFCMKK-UHFFFAOYSA-N
XLogP2.43
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119789555
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 91834584
N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
3-methyl-N-[4-[2-(4-methyltriazol-1-yl)ethylcarbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 169416855
4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119789564
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
(3R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97279114
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
2-[[(cyclohexylamino)-[(3-methyl-1-benzofuran-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111603382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 169417784) is N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1c(CNC(=O)C2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)oc2ccccc12.
What is the InChIKey of N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FUOQADPPVFCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-16-4-2-3-5-18(16)30-19(13)12-23-21(28)14-6-8-15(9-7-14)24-22(29)17-10-11-20(27)26-25-17/h2-5,10-11,14-15H,6-9,12H2,1H3,(H,23,28)(H,24,29)(H,26,27).
What are the key properties of N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 169417784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).