N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H19N3O4 — CID 114951434

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H19N3O4/c1-15(8-12(18)4-6-19-7-5-12)11(17)9-2-3-10(16)14-13-9/h18H,2-8H2,1H3,(H,14,16)
InChIKeyFQVWPWCYVQTBST-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.75
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 114951434) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID114951434
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H19N3O4/c1-15(8-12(18)4-6-19-7-5-12)11(17)9-2-3-10(16)14-13-9/h18H,2-8H2,1H3,(H,14,16)
InChIKeyFQVWPWCYVQTBST-UHFFFAOYSA-N
XLogP-0.75
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113252997
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60959401
N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61381411
methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate
CID 54979984
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 114951604
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
N-methyl-6-oxo-N-(2-piperidin-1-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110752381
N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114951605

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 114951434) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(CC1(O)CCOCC1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is FQVWPWCYVQTBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-15(8-12(18)4-6-19-7-5-12)11(17)9-2-3-10(16)14-13-9/h18H,2-8H2,1H3,(H,14,16).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 114951434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).