N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H23N5O3 — CID 3230378

IUPACN-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N5O3/c1-14-13-16(24(26)27)6-7-17(14)21-19(25)15(2)22-9-11-23(12-10-22)18-5-3-4-8-20-18/h3-8,13,15H,9-12H2,1-2H3,(H,21,25)
InChIKeyGALCBQVZSXJXMN-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.45
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 3230378) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID3230378
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N5O3/c1-14-13-16(24(26)27)6-7-17(14)21-19(25)15(2)22-9-11-23(12-10-22)18-5-3-4-8-20-18/h3-8,13,15H,9-12H2,1-2H3,(H,21,25)
InChIKeyGALCBQVZSXJXMN-UHFFFAOYSA-N
XLogP2.45
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 3230378) is N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is GALCBQVZSXJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-13-16(24(26)27)6-7-17(14)21-19(25)15(2)22-9-11-23(12-10-22)18-5-3-4-8-20-18/h3-8,13,15H,9-12H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 369.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3230378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).