N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C15H21N5O2 — CID 131933269

IUPACN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCc1cnccc1NCCNC(=O)CCC1=NNC(=O)CC1
InChIInChI=1S/C15H21N5O2/c1-11-10-16-7-6-13(11)17-8-9-18-14(21)4-2-12-3-5-15(22)20-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)(H,18,21)(H,20,22)
InChIKeyZSSXCOYYJSEOSL-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.96
Rot. Bonds7

About N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 131933269) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID131933269
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCc1cnccc1NCCNC(=O)CCC1=NNC(=O)CC1
InChIInChI=1S/C15H21N5O2/c1-11-10-16-7-6-13(11)17-8-9-18-14(21)4-2-12-3-5-15(22)20-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)(H,18,21)(H,20,22)
InChIKeyZSSXCOYYJSEOSL-UHFFFAOYSA-N
XLogP0.96
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 131933269) is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is Cc1cnccc1NCCNC(=O)CCC1=NNC(=O)CC1.
What is the InChIKey of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is ZSSXCOYYJSEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-10-16-7-6-13(11)17-8-9-18-14(21)4-2-12-3-5-15(22)20-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)(H,18,21)(H,20,22).
What are the key properties of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 131933269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).