N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C11H16N4O2 — CID 110746157

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C11H16N4O2/c1-15-5-4-8(7-15)6-12-11(17)9-2-3-10(16)14-13-9/h2-3,8H,4-7H2,1H3,(H,12,17)(H,14,16)
InChIKeySKRQQQOFXBXQDX-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.55
Rot. Bonds3

About N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110746157) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110746157
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C11H16N4O2/c1-15-5-4-8(7-15)6-12-11(17)9-2-3-10(16)14-13-9/h2-3,8H,4-7H2,1H3,(H,12,17)(H,14,16)
InChIKeySKRQQQOFXBXQDX-UHFFFAOYSA-N
XLogP-0.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106128896
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110673301
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94115500
N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16675340
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110746157) is N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is CN1CCC(CNC(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SKRQQQOFXBXQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-5-4-8(7-15)6-12-11(17)9-2-3-10(16)14-13-9/h2-3,8H,4-7H2,1H3,(H,12,17)(H,14,16).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110746157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).