N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide

C15H24N6O — CID 126771166

IUPACN-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
SMILESCN1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1
InChIInChI=1S/C15H24N6O/c1-19-7-4-13(5-8-19)17-15(22)21-11-9-20(10-12-21)14-3-2-6-16-18-14/h2-3,6,13H,4-5,7-12H2,1H3,(H,17,22)
InChIKeyATISERSZPGOCNN-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.40
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide

N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide (PubChem CID 126771166) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
PubChem CID126771166
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
SMILESCN1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1
InChIInChI=1S/C15H24N6O/c1-19-7-4-13(5-8-19)17-15(22)21-11-9-20(10-12-21)14-3-2-6-16-18-14/h2-3,6,13H,4-5,7-12H2,1H3,(H,17,22)
InChIKeyATISERSZPGOCNN-UHFFFAOYSA-N
XLogP0.40
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 166254401
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 11610179
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide
CID 110090149
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155496592

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide (CID 126771166) is N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide is CN1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide?
The InChIKey is ATISERSZPGOCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-19-7-4-13(5-8-19)17-15(22)21-11-9-20(10-12-21)14-3-2-6-16-18-14/h2-3,6,13H,4-5,7-12H2,1H3,(H,17,22).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide?
N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126771166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).