1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide

C12H19N5O — CID 80509107

IUPAC1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nnccc1CN
InChIInChI=1S/C12H19N5O/c1-14-12(18)10-4-2-3-7-17(10)11-9(8-13)5-6-15-16-11/h5-6,10H,2-4,7-8,13H2,1H3,(H,14,18)
InChIKeySDKYQRAOHUVPLS-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.04
Rot. Bonds3

About 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide

1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 80509107) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide
PubChem CID80509107
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nnccc1CN
InChIInChI=1S/C12H19N5O/c1-14-12(18)10-4-2-3-7-17(10)11-9(8-13)5-6-15-16-11/h5-6,10H,2-4,7-8,13H2,1H3,(H,14,18)
InChIKeySDKYQRAOHUVPLS-UHFFFAOYSA-N
XLogP0.04
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 82817618
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-(5-amino-3-bromo-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 79532299
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986924
1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide
CID 62672889
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 80638521

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide (CID 80509107) is 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nnccc1CN.
What is the InChIKey of 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is SDKYQRAOHUVPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-14-12(18)10-4-2-3-7-17(10)11-9(8-13)5-6-15-16-11/h5-6,10H,2-4,7-8,13H2,1H3,(H,14,18).
What are the key properties of 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide?
1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80509107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).