1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid

C14H19N3O4 — CID 66278923

IUPAC1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C14H19N3O4/c1-3-4-14(13(18)19)5-6-16(9-14)12-11(17(20)21)7-10(2)8-15-12/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyUZNCXOAAAWMWFI-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.38
Rot. Bonds5

About 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid

1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 66278923) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID66278923
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C14H19N3O4/c1-3-4-14(13(18)19)5-6-16(9-14)12-11(17(20)21)7-10(2)8-15-12/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyUZNCXOAAAWMWFI-UHFFFAOYSA-N
XLogP2.38
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid (CID 66278923) is 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2ncc(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UZNCXOAAAWMWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-4-14(13(18)19)5-6-16(9-14)12-11(17(20)21)7-10(2)8-15-12/h7-8H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66278923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).