1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide

C12H15N5O — CID 80510373

IUPAC1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nnccc1C#N
InChIInChI=1S/C12H15N5O/c1-14-12(18)10-4-2-3-7-17(10)11-9(8-13)5-6-15-16-11/h5-6,10H,2-4,7H2,1H3,(H,14,18)
InChIKeyYWVRHFSIVNIDEC-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.45
Rot. Bonds2

About 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide

1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 80510373) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
PubChem CID80510373
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nnccc1C#N
InChIInChI=1S/C12H15N5O/c1-14-12(18)10-4-2-3-7-17(10)11-9(8-13)5-6-15-16-11/h5-6,10H,2-4,7H2,1H3,(H,14,18)
InChIKeyYWVRHFSIVNIDEC-UHFFFAOYSA-N
XLogP0.45
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide (CID 80510373) is 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nnccc1C#N.
What is the InChIKey of 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is YWVRHFSIVNIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-14-12(18)10-4-2-3-7-17(10)11-9(8-13)5-6-15-16-11/h5-6,10H,2-4,7H2,1H3,(H,14,18).
What are the key properties of 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide?
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80510373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).