N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide

C20H21N3O2 — CID 122559379

IUPACN-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
SMILESCC(C)c1ccc(-c2ccc(C(=O)N(C)Cc3ccoc3)cc2)nn1
InChIInChI=1S/C20H21N3O2/c1-14(2)18-8-9-19(22-21-18)16-4-6-17(7-5-16)20(24)23(3)12-15-10-11-25-13-15/h4-11,13-14H,12H2,1-3H3
InChIKeyUJPKBGCHBMBFPN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.13
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide

N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide (PubChem CID 122559379) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
PubChem CID122559379
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
SMILESCC(C)c1ccc(-c2ccc(C(=O)N(C)Cc3ccoc3)cc2)nn1
InChIInChI=1S/C20H21N3O2/c1-14(2)18-8-9-19(22-21-18)16-4-6-17(7-5-16)20(24)23(3)12-15-10-11-25-13-15/h4-11,13-14H,12H2,1-3H3
InChIKeyUJPKBGCHBMBFPN-UHFFFAOYSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
CID 122568132
N-(furan-3-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 61151195
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 119071188
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide
CID 61216287
5-chloro-N-(furan-3-ylmethyl)-N-methylpyrazine-2-carboxamide
CID 107252485
N-(furan-3-ylmethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 61422868

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide (CID 122559379) is N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide is CC(C)c1ccc(-c2ccc(C(=O)N(C)Cc3ccoc3)cc2)nn1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
The InChIKey is UJPKBGCHBMBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)18-8-9-19(22-21-18)16-4-6-17(7-5-16)20(24)23(3)12-15-10-11-25-13-15/h4-11,13-14H,12H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 122559379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).