N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C20H21N3O3 — CID 9451916

IUPACN-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O3/c1-15-18(8-5-9-19(15)23(25)26)21-20(24)14-22-12-10-17(11-13-22)16-6-3-2-4-7-16/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyJGNSIMCBGDQZNZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.63
Rot. Bonds5

About N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 9451916) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID9451916
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O3/c1-15-18(8-5-9-19(15)23(25)26)21-20(24)14-22-12-10-17(11-13-22)16-6-3-2-4-7-16/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyJGNSIMCBGDQZNZ-UHFFFAOYSA-N
XLogP3.63
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55519862
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 9037402
N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 24615917
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 27185929
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 9451916) is N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is Cc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is JGNSIMCBGDQZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-18(8-5-9-19(15)23(25)26)21-20(24)14-22-12-10-17(11-13-22)16-6-3-2-4-7-16/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 9451916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).