6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide

C11H16N4O2 — CID 103805411

IUPAC6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c16-10-2-1-9(14-15-10)11(17)13-7-8-3-5-12-6-4-8/h1-2,8,12H,3-7H2,(H,13,17)(H,15,16)
InChIKeyIXKRSAUHBTVNLH-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.50
Rot. Bonds3

About 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide (PubChem CID 103805411) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
PubChem CID103805411
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c16-10-2-1-9(14-15-10)11(17)13-7-8-3-5-12-6-4-8/h1-2,8,12H,3-7H2,(H,13,17)(H,15,16)
InChIKeyIXKRSAUHBTVNLH-UHFFFAOYSA-N
XLogP-0.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106128896
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745197
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 91645277
4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 170181761

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide (CID 103805411) is 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide is O=C(NCC1CCNCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide?
The InChIKey is IXKRSAUHBTVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10-2-1-9(14-15-10)11(17)13-7-8-3-5-12-6-4-8/h1-2,8,12H,3-7H2,(H,13,17)(H,15,16).
What are the key properties of 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103805411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).