2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide

C15H15N3O3 — CID 2943822

IUPAC2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c1-11(13-4-6-14(7-5-13)18(20)21)15(19)17-10-12-3-2-8-16-9-12/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyODCUAQZUJMVWDW-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide

2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2943822) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2943822
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c1-11(13-4-6-14(7-5-13)18(20)21)15(19)17-10-12-3-2-8-16-9-12/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyODCUAQZUJMVWDW-UHFFFAOYSA-N
XLogP2.41
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.41
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

(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 2943745
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
4-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 25359833
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
N-(pyridin-3-ylmethyl)carbamate
CID 19082872

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 2943822) is 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ODCUAQZUJMVWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11(13-4-6-14(7-5-13)18(20)21)15(19)17-10-12-3-2-8-16-9-12/h2-9,11H,10H2,1H3,(H,17,19).
What are the key properties of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide?
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 285.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2943822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).