N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide

C11H16N4O — CID 121338355

IUPACN-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide
SMILESCN(C=O)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C11H16N4O/c1-14(9-16)10-4-7-15(8-5-10)11-3-2-6-12-13-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyQIMWYYMGFGOXEZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.53
Rot. Bonds3

About N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide

N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide (PubChem CID 121338355) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide
PubChem CID121338355
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide
SMILESCN(C=O)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C11H16N4O/c1-14(9-16)10-4-7-15(8-5-10)11-3-2-6-12-13-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyQIMWYYMGFGOXEZ-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide?
The IUPAC name of N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide (CID 121338355) is N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide.
What is the SMILES notation for N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide?
The canonical SMILES for N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide is CN(C=O)C1CCN(c2cccnn2)CC1.
What is the InChIKey of N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide?
The InChIKey is QIMWYYMGFGOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14(9-16)10-4-7-15(8-5-10)11-3-2-6-12-13-11/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide?
N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide has a molecular weight of 220.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide is sourced from PubChem (CID 121338355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).