4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

C11H17N5O2 — CID 154662473

IUPAC4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(N)CC2)ccc1=O
InChIInChI=1S/C11H17N5O2/c1-15-10(17)3-2-9(14-15)13-11(18)16-6-4-8(12)5-7-16/h2-3,8H,4-7,12H2,1H3,(H,13,14,18)
InChIKeyUCKJCFJGCIVQPW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.26
Rot. Bonds1

About 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 154662473) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
PubChem CID154662473
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(N)CC2)ccc1=O
InChIInChI=1S/C11H17N5O2/c1-15-10(17)3-2-9(14-15)13-11(18)16-6-4-8(12)5-7-16/h2-3,8H,4-7,12H2,1H3,(H,13,14,18)
InChIKeyUCKJCFJGCIVQPW-UHFFFAOYSA-N
XLogP-0.26
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,5-difluorophenyl)ethyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 157412972
4-[(2-fluorophenoxy)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662325
N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 154662277
4-[(2-chloro-3-cyanophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662466
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025521
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662305
4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662377
(4aR,7aS)-6-methyl-N-(1-methyl-6-oxopyridazin-3-yl)-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 167805475
ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen
CID 154662299
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
1-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1,4-dicarboxamide
CID 108887466

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (CID 154662473) is 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(N)CC2)ccc1=O.
What is the InChIKey of 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is UCKJCFJGCIVQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-15-10(17)3-2-9(14-15)13-11(18)16-6-4-8(12)5-7-16/h2-3,8H,4-7,12H2,1H3,(H,13,14,18).
What are the key properties of 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154662473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).