N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide

C17H19N3O3 — CID 71923903

IUPACN-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide
SMILESCC(C)(NC(=O)CCc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3/c1-17(2,13-6-9-15(10-7-13)20(22)23)19-16(21)11-8-14-5-3-4-12-18-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)
InChIKeyUWVLELIJYZIZQT-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide

N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide (PubChem CID 71923903) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide
PubChem CID71923903
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide
SMILESCC(C)(NC(=O)CCc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3/c1-17(2,13-6-9-15(10-7-13)20(22)23)19-16(21)11-8-14-5-3-4-12-18-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)
InChIKeyUWVLELIJYZIZQT-UHFFFAOYSA-N
XLogP2.97
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.97
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-(4-nitrophenyl)propan-2-yl]pent-4-enamide
CID 71976213
1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43297299
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692
2-(4-nitrophenyl)-2-(pyridin-2-ylmethyl)propanedinitrile
CID 22236999
2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895
2-nitro-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 3783366
3-(4-tert-butylphenyl)-3-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613671
methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
CID 75425844

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide (CID 71923903) is N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide is CC(C)(NC(=O)CCc1ccccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide?
The InChIKey is UWVLELIJYZIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(2,13-6-9-15(10-7-13)20(22)23)19-16(21)11-8-14-5-3-4-12-18-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide?
N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)propan-2-yl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 71923903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).