3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide

C17H22N4O3 — CID 30853413

IUPAC3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H22N4O3/c1-12-5-8-24-16(12)17(23)18-10-13-3-6-21(7-4-13)14-9-15(22)20(2)19-11-14/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,18,23)
InChIKeyISOSPJMTVLJPEN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.33
Rot. Bonds4

About 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide

3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 30853413) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID30853413
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H22N4O3/c1-12-5-8-24-16(12)17(23)18-10-13-3-6-21(7-4-13)14-9-15(22)20(2)19-11-14/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,18,23)
InChIKeyISOSPJMTVLJPEN-UHFFFAOYSA-N
XLogP1.33
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

2-methoxy-6-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70780609
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 45236169
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide (CID 30853413) is 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is ISOSPJMTVLJPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-5-8-24-16(12)17(23)18-10-13-3-6-21(7-4-13)14-9-15(22)20(2)19-11-14/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,18,23).
What are the key properties of 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 30853413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).