N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C12H16F2N4O2 — CID 138000232

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCNCC2(F)F)ccc1=O
InChIInChI=1S/C12H16F2N4O2/c1-18-10(19)3-2-9(17-18)11(20)16-6-8-4-5-15-7-12(8,13)14/h2-3,8,15H,4-7H2,1H3,(H,16,20)
InChIKeyHMCPOCQXEPJCQG-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.25
Rot. Bonds3

About N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 138000232) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID138000232
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCNCC2(F)F)ccc1=O
InChIInChI=1S/C12H16F2N4O2/c1-18-10(19)3-2-9(17-18)11(20)16-6-8-4-5-15-7-12(8,13)14/h2-3,8,15H,4-7H2,1H3,(H,16,20)
InChIKeyHMCPOCQXEPJCQG-UHFFFAOYSA-N
XLogP-0.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 138000232) is N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC2CCNCC2(F)F)ccc1=O.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HMCPOCQXEPJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c1-18-10(19)3-2-9(17-18)11(20)16-6-8-4-5-15-7-12(8,13)14/h2-3,8,15H,4-7H2,1H3,(H,16,20).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 286.28 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 138000232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).