5-nitro-N-propylpyridine-2-carboxamide

C9H11N3O3 — CID 21405282

IUPAC5-nitro-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N3O3/c1-2-5-10-9(13)8-4-3-7(6-11-8)12(14)15/h3-4,6H,2,5H2,1H3,(H,10,13)
InChIKeyJKSFSCZUYIRIOH-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.13
Rot. Bonds4

About 5-nitro-N-propylpyridine-2-carboxamide

5-nitro-N-propylpyridine-2-carboxamide (PubChem CID 21405282) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-nitro-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-propylpyridine-2-carboxamide
PubChem CID21405282
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name5-nitro-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N3O3/c1-2-5-10-9(13)8-4-3-7(6-11-8)12(14)15/h3-4,6H,2,5H2,1H3,(H,10,13)
InChIKeyJKSFSCZUYIRIOH-UHFFFAOYSA-N
XLogP1.13
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.13
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

5-nitro-N-pent-4-ynylpyridine-2-carboxamide
CID 162753441
N-butanoyl-5-nitropyridine-2-carboxamide
CID 21405268
N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide
CID 99798364
5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide
CID 62954085
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378
N-propylpyrimidine-4-carboxamide
CID 89156251
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
acetonitrile;4-[[2-[(5-nitropyridine-2-carbonyl)amino]acetyl]amino]benzoic acid
CID 144684043
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-nitro-N-propylpyridine-2-carboxamide (CID 21405282) is 5-nitro-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-nitro-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-nitro-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-N-propylpyridine-2-carboxamide?
The InChIKey is JKSFSCZUYIRIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-5-10-9(13)8-4-3-7(6-11-8)12(14)15/h3-4,6H,2,5H2,1H3,(H,10,13).
What are the key properties of 5-nitro-N-propylpyridine-2-carboxamide?
5-nitro-N-propylpyridine-2-carboxamide has a molecular weight of 209.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 21405282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).