2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C17H18N4O3 — CID 34080362

IUPAC2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H18N4O3/c22-17(11-13-3-6-15(7-4-13)21(23)24)19-14-5-8-16(18-12-14)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,19,22)
InChIKeyZXNWZWABUUPZBB-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 34080362) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID34080362
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H18N4O3/c22-17(11-13-3-6-15(7-4-13)21(23)24)19-14-5-8-16(18-12-14)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,19,22)
InChIKeyZXNWZWABUUPZBB-UHFFFAOYSA-N
XLogP2.77
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857574
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 51319265
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 34080362) is 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is ZXNWZWABUUPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-17(11-13-3-6-15(7-4-13)21(23)24)19-14-5-8-16(18-12-14)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,19,22).
What are the key properties of 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 34080362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).