N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H19N5O3 — CID 60725274

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C12H19N5O3/c13-10(18)7-17-5-3-8(4-6-17)14-12(20)9-1-2-11(19)16-15-9/h8H,1-7H2,(H2,13,18)(H,14,20)(H,16,19)
InChIKeyHXLALQJTMGXFDK-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.68
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60725274) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60725274
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C12H19N5O3/c13-10(18)7-17-5-3-8(4-6-17)14-12(20)9-1-2-11(19)16-15-9/h8H,1-7H2,(H2,13,18)(H,14,20)(H,16,19)
InChIKeyHXLALQJTMGXFDK-UHFFFAOYSA-N
XLogP-1.68
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110745998
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821459
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide
CID 53498700
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60725274) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is NC(=O)CN1CCC(NC(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HXLALQJTMGXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-10(18)7-17-5-3-8(4-6-17)14-12(20)9-1-2-11(19)16-15-9/h8H,1-7H2,(H2,13,18)(H,14,20)(H,16,19).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60725274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).