N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide

C11H15N3O2 — CID 104671170

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O2/c1-14(7-8-4-10(15)5-8)11(16)9-2-3-12-13-6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKeyGSTPAIQBAXWQBK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide (PubChem CID 104671170) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
PubChem CID104671170
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O2/c1-14(7-8-4-10(15)5-8)11(16)9-2-3-12-13-6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKeyGSTPAIQBAXWQBK-UHFFFAOYSA-N
XLogP0.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104672489
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-sulfanylbenzamide
CID 107031679
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
CID 104742495
N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66334957
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-nitrobenzamide
CID 99637269
4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 104783050
ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
CID 112701078
3-[3-[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77109100
N-(2-bromo-3-methoxypropyl)-N-methylpyridazine-4-carboxamide
CID 104672547
2-bromo-N-[(3-hydroxycyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 102808059

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide (CID 104671170) is N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide is CN(CC1CC(O)C1)C(=O)c1ccnnc1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is GSTPAIQBAXWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(7-8-4-10(15)5-8)11(16)9-2-3-12-13-6-9/h2-3,6,8,10,15H,4-5,7H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104671170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).