N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine

C22H28N4O — CID 155597486

IUPACN-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CCN)cc1.Nc1ccc(NC(=O)CC2=CCCC=C2)nc1
InChIInChI=1S/C13H15N3O.C9H13N/c14-11-6-7-12(15-9-11)16-13(17)8-10-4-2-1-3-5-10;1-8-2-4-9(5-3-8)6-7-10/h2,4-7,9H,1,3,8,14H2,(H,15,16,17);2-5H,6-7,10H2,1H3
InChIKeyDFSAUXMEGTXEGB-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.77
Rot. Bonds5

About N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine

N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine (PubChem CID 155597486) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine
PubChem CID155597486
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CCN)cc1.Nc1ccc(NC(=O)CC2=CCCC=C2)nc1
InChIInChI=1S/C13H15N3O.C9H13N/c14-11-6-7-12(15-9-11)16-13(17)8-10-4-2-1-3-5-10;1-8-2-4-9(5-3-8)6-7-10/h2,4-7,9H,1,3,8,14H2,(H,15,16,17);2-5H,6-7,10H2,1H3
InChIKeyDFSAUXMEGTXEGB-UHFFFAOYSA-N
XLogP3.77
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 82330844
2-cyclohexa-1,5-dien-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)acetamide;4-[2-(methylamino)ethyl]benzonitrile
CID 155597407
N-(5-amino-2-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 43144626
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
2-(3-aminophenyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 62500128
2-cyclohexa-1,5-dien-1-yl-N-[5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]acetamide;4-[2-(methylamino)ethyl]benzonitrile
CID 155597349
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-(5-amino-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide
CID 115273730
N-(5-amino-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115273710
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
CID 115273765
2-(4-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025663

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine?
The IUPAC name of N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine (CID 155597486) is N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine is Cc1ccc(CCN)cc1.Nc1ccc(NC(=O)CC2=CCCC=C2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine?
The InChIKey is DFSAUXMEGTXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C9H13N/c14-11-6-7-12(15-9-11)16-13(17)8-10-4-2-1-3-5-10;1-8-2-4-9(5-3-8)6-7-10/h2,4-7,9H,1,3,8,14H2,(H,15,16,17);2-5H,6-7,10H2,1H3.
What are the key properties of N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine?
N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine has a molecular weight of 364.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-2-cyclohexa-1,5-dien-1-ylacetamide;2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 155597486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).