2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide

C15H15N3O4 — CID 146333511

IUPAC2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide
SMILESNC(=O)c1cc(OCCCc2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c16-15(19)13-10-12(3-4-14(13)18(20)21)22-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9H2,(H2,16,19)
InChIKeyGOAARNYGVZMBGH-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.10
Rot. Bonds7

About 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide

2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide (PubChem CID 146333511) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide
PubChem CID146333511
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide
SMILESNC(=O)c1cc(OCCCc2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c16-15(19)13-10-12(3-4-14(13)18(20)21)22-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9H2,(H2,16,19)
InChIKeyGOAARNYGVZMBGH-UHFFFAOYSA-N
XLogP2.10
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
5-butoxy-2-nitrobenzamide
CID 70418423
2-nitro-5-(3-phenylpropoxy)aniline
CID 106752038
5-(4-methoxybutoxy)-2-nitrobenzoic acid
CID 102739582
methyl 5-(3-amino-3-oxopropoxy)-2-nitrobenzoate
CID 177325757
2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
CID 79467347
2-nitro-5-(3-phenylpropoxy)benzonitrile
CID 115501528
3-(5-butoxy-2-nitrobenzoyl)pentane-2,4-dione
CID 19692212
5-but-3-enoxy-2-nitrobenzoic acid
CID 29005919
5-imidazol-1-yl-2-nitrobenzamide
CID 19709767
5-[2-(2-methoxyethoxy)ethoxy]-2-nitrobenzoic acid
CID 104560470
2-nitro-5-(2-phenylmethoxyethoxy)benzoic acid
CID 12719183

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide?
The IUPAC name of 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide (CID 146333511) is 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide.
What is the SMILES notation for 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide?
The canonical SMILES for 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide is NC(=O)c1cc(OCCCc2ccncc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide?
The InChIKey is GOAARNYGVZMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c16-15(19)13-10-12(3-4-14(13)18(20)21)22-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9H2,(H2,16,19).
What are the key properties of 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide?
2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide has a molecular weight of 301.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide is sourced from PubChem (CID 146333511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).