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

C15H25N5O3 — CID 146193165

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C15H25N5O3/c1-9(16)15(23)20-7-5-11(6-8-20)10(2)17-14(22)12-3-4-13(21)19-18-12/h9-11H,3-8,16H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyVBPHBIKUVXBUQX-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.66
Rot. Bonds4

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

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 146193165) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID146193165
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C15H25N5O3/c1-9(16)15(23)20-7-5-11(6-8-20)10(2)17-14(22)12-3-4-13(21)19-18-12/h9-11H,3-8,16H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyVBPHBIKUVXBUQX-UHFFFAOYSA-N
XLogP-0.66
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 146193051
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 146193082
6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43430538
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
CID 118946467
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146193124
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide
CID 146193122
6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
CID 146193092
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
CID 146193182
2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681223
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103727953
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 146193165) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is VBPHBIKUVXBUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-9(16)15(23)20-7-5-11(6-8-20)10(2)17-14(22)12-3-4-13(21)19-18-12/h9-11H,3-8,16H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 146193165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).