N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C13H15N5O3 — CID 108554971

IUPACN-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESN#CCC(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H15N5O3/c14-6-3-12(20)18-7-4-9(5-8-18)15-13(21)10-1-2-11(19)17-16-10/h1-2,9H,3-5,7-8H2,(H,15,21)(H,17,19)
InChIKeyGOFPPHGHAZBLLC-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.60
Rot. Bonds3

About N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 108554971) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID108554971
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESN#CCC(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H15N5O3/c14-6-3-12(20)18-7-4-9(5-8-18)15-13(21)10-1-2-11(19)17-16-10/h1-2,9H,3-5,7-8H2,(H,15,21)(H,17,19)
InChIKeyGOFPPHGHAZBLLC-UHFFFAOYSA-N
XLogP-0.60
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555048
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555027
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754
N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557889

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 108554971) is N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is N#CCC(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GOFPPHGHAZBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-6-3-12(20)18-7-4-9(5-8-18)15-13(21)10-1-2-11(19)17-16-10/h1-2,9H,3-5,7-8H2,(H,15,21)(H,17,19).
What are the key properties of N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108554971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).