N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

C15H9ClN4O5 — CID 1255270

IUPACN-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H9ClN4O5/c16-8-1-4-12(17-6-8)18-13(21)7-19-14(22)10-3-2-9(20(24)25)5-11(10)15(19)23/h1-6H,7H2,(H,17,18,21)
InChIKeyGABZJYHETPIZDU-UHFFFAOYSA-N
MW360.71 g/mol
LogP1.88
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 1255270) has the molecular formula C15H9ClN4O5 and a molecular weight of 360.71 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID1255270
Molecular FormulaC15H9ClN4O5
Molecular Weight360.71 g/mol
Exact Mass360.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H9ClN4O5/c16-8-1-4-12(17-6-8)18-13(21)7-19-14(22)10-3-2-9(20(24)25)5-11(10)15(19)23/h1-6H,7H2,(H,17,18,21)
InChIKeyGABZJYHETPIZDU-UHFFFAOYSA-N
XLogP1.88
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 51.88
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 8820768
N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 46583227
2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3712827
N-(4-chlorophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 17297181
2-hydroxy-5-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
CID 17296917
2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 23731798
N-(2-cyanophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2706886
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]propanamide
CID 108542705
N-(2-ethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1300340
2-fluoro-N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]benzamide
CID 108538248
4-hydroxy-3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
CID 108730226

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 1255270) is N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is GABZJYHETPIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O5/c16-8-1-4-12(17-6-8)18-13(21)7-19-14(22)10-3-2-9(20(24)25)5-11(10)15(19)23/h1-6H,7H2,(H,17,18,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 360.71 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 1255270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).