3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide

C19H26N4O2 — CID 167840250

IUPAC3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)C(C)C(N)c2ccccc2)c1CC
InChIInChI=1S/C19H26N4O2/c1-4-14-15(19(25)23-22-16(14)5-2)11-21-18(24)12(3)17(20)13-9-7-6-8-10-13/h6-10,12,17H,4-5,11,20H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyJLHWYPZNUQILNS-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.85
Rot. Bonds7

About 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide

3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide (PubChem CID 167840250) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
PubChem CID167840250
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)C(C)C(N)c2ccccc2)c1CC
InChIInChI=1S/C19H26N4O2/c1-4-14-15(19(25)23-22-16(14)5-2)11-21-18(24)12(3)17(20)13-9-7-6-8-10-13/h6-10,12,17H,4-5,11,20H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyJLHWYPZNUQILNS-UHFFFAOYSA-N
XLogP1.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
CID 120873070
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide
CID 119694415
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 119763802
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide (CID 167840250) is 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide is CCc1n[nH]c(=O)c(CNC(=O)C(C)C(N)c2ccccc2)c1CC.
What is the InChIKey of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is JLHWYPZNUQILNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-14-15(19(25)23-22-16(14)5-2)11-21-18(24)12(3)17(20)13-9-7-6-8-10-13/h6-10,12,17H,4-5,11,20H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 167840250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).