N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen

C24H33N5O2 — CID 176579481

IUPACN-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen
SMILESCCC(=O)c1ncc(-c2cccc(CC)c2)cc1NC(=O)CNCC1=CC(C)=CNN1.[H][H].[H][H]
InChIInChI=1S/C24H29N5O2.2H2/c1-4-17-7-6-8-18(10-17)19-11-21(24(26-13-19)22(30)5-2)28-23(31)15-25-14-20-9-16(3)12-27-29-20;;/h6-13,25,27,29H,4-5,14-15H2,1-3H3,(H,28,31);2*1H
InChIKeyZUSTVUNMSOJZTK-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.82
Rot. Bonds9

About N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen

N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen (PubChem CID 176579481) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen
PubChem CID176579481
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen
SMILESCCC(=O)c1ncc(-c2cccc(CC)c2)cc1NC(=O)CNCC1=CC(C)=CNN1.[H][H].[H][H]
InChIInChI=1S/C24H29N5O2.2H2/c1-4-17-7-6-8-18(10-17)19-11-21(24(26-13-19)22(30)5-2)28-23(31)15-25-14-20-9-16(3)12-27-29-20;;/h6-13,25,27,29H,4-5,14-15H2,1-3H3,(H,28,31);2*1H
InChIKeyZUSTVUNMSOJZTK-UHFFFAOYSA-N
XLogP3.82
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 176580213
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 176580494
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methyl-2-oxabicyclo[3.1.1]hept-4-en-4-yl)methylamino]acetamide;molecular hydrogen
CID 176581326
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen
CID 176581188
2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176578343
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen?
The IUPAC name of N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen (CID 176579481) is N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen.
What is the SMILES notation for N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen?
The canonical SMILES for N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen is CCC(=O)c1ncc(-c2cccc(CC)c2)cc1NC(=O)CNCC1=CC(C)=CNN1.[H][H].[H][H].
What is the InChIKey of N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen?
The InChIKey is ZUSTVUNMSOJZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.2H2/c1-4-17-7-6-8-18(10-17)19-11-21(24(26-13-19)22(30)5-2)28-23(31)15-25-14-20-9-16(3)12-27-29-20;;/h6-13,25,27,29H,4-5,14-15H2,1-3H3,(H,28,31);2*1H.
What are the key properties of N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen?
N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen has a molecular weight of 423.56 g/mol, XLogP of 3.82, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen is sourced from PubChem (CID 176579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).