N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide

C12H17ClN4O — CID 114084319

IUPACN-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H17ClN4O/c1-12(2)6-3-7-14-10(12)11(18)15-9-5-4-8(13)16-17-9/h4-5,10,14H,3,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDXGSDVNJJLVXRX-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.85
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide

N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 114084319) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide
PubChem CID114084319
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H17ClN4O/c1-12(2)6-3-7-14-10(12)11(18)15-9-5-4-8(13)16-17-9/h4-5,10,14H,3,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDXGSDVNJJLVXRX-UHFFFAOYSA-N
XLogP1.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide (CID 114084319) is N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide is CC1(C)CCCNC1C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is DXGSDVNJJLVXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-12(2)6-3-7-14-10(12)11(18)15-9-5-4-8(13)16-17-9/h4-5,10,14H,3,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide?
N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 114084319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).