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

C15H23N5O3 — CID 146193059

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H23N5O3/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/h3-4,9-11H,5-8,16H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyMTNDKYUOMPZHSK-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.53
Rot. Bonds4

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

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 146193059) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID146193059
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H23N5O3/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/h3-4,9-11H,5-8,16H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyMTNDKYUOMPZHSK-UHFFFAOYSA-N
XLogP-0.53
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 146193059) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MTNDKYUOMPZHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/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/h3-4,9-11H,5-8,16H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.53, 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-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 146193059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).