N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide

C18H22N4O4 — CID 167811798

IUPACN-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCN(C(=O)c3ccco3)CC2)n[nH]1
InChIInChI=1S/C18H22N4O4/c1-12-10-14(23)16(21-20-12)17(24)19-11-13-4-2-7-22(8-6-13)18(25)15-5-3-9-26-15/h3,5,9-10,13H,2,4,6-8,11H2,1H3,(H,19,24)(H,20,23)
InChIKeyCYOCWCFDMLDSEB-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.34
Rot. Bonds4

About N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide

N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide (PubChem CID 167811798) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
PubChem CID167811798
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCN(C(=O)c3ccco3)CC2)n[nH]1
InChIInChI=1S/C18H22N4O4/c1-12-10-14(23)16(21-20-12)17(24)19-11-13-4-2-7-22(8-6-13)18(25)15-5-3-9-26-15/h3,5,9-10,13H,2,4,6-8,11H2,1H3,(H,19,24)(H,20,23)
InChIKeyCYOCWCFDMLDSEB-UHFFFAOYSA-N
XLogP1.34
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 167777693
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1H-indazole-3-carboxamide
CID 78868846
N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 131902819
(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
CID 167530296
6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide
CID 167759413
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110411430
azepan-1-yl(furan-2-yl)methanone
CID 5200992
4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide (CID 167811798) is N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCCN(C(=O)c3ccco3)CC2)n[nH]1.
What is the InChIKey of N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CYOCWCFDMLDSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-10-14(23)16(21-20-12)17(24)19-11-13-4-2-7-22(8-6-13)18(25)15-5-3-9-26-15/h3,5,9-10,13H,2,4,6-8,11H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide?
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 167811798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).