N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide

C15H19N3O3 — CID 141498158

IUPACN-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide
SMILESCCN1CC=C(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H19N3O3/c1-3-17-8-6-12(7-9-17)13-4-5-14(16-11(2)19)15(10-13)18(20)21/h4-6,10H,3,7-9H2,1-2H3,(H,16,19)
InChIKeyBJPYPXRDWXUABJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.66
Rot. Bonds4

About N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide

N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide (PubChem CID 141498158) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide
PubChem CID141498158
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide
SMILESCCN1CC=C(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H19N3O3/c1-3-17-8-6-12(7-9-17)13-4-5-14(16-11(2)19)15(10-13)18(20)21/h4-6,10H,3,7-9H2,1-2H3,(H,16,19)
InChIKeyBJPYPXRDWXUABJ-UHFFFAOYSA-N
XLogP2.66
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.66
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

N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 9451916
N-(2-ethyl-6-nitro-1,3-dihydroisoindol-5-yl)acetamide
CID 25139889
4-(3-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118628523
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
1-[4-(3-methoxy-4-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 118464905
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide
CID 536150
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
1-ethyl-6-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
CID 131742180
N-[2-nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetamide
CID 11002720
[3-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-nitrophenyl]methanol
CID 133438790

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide (CID 141498158) is N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide is CCN1CC=C(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide?
The InChIKey is BJPYPXRDWXUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-17-8-6-12(7-9-17)13-4-5-14(16-11(2)19)15(10-13)18(20)21/h4-6,10H,3,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide?
N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide is sourced from PubChem (CID 141498158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).