[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C16H20N4O3 — CID 100703517

IUPAC[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C([C@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C16H20N4O3/c21-16(15-2-1-6-19(15)12-3-4-12)18-7-5-14-11(10-18)8-13(9-17-14)20(22)23/h8-9,12,15H,1-7,10H2/t15-/m1/s1
InChIKeyUZWGFQVZQATSBH-OAHLLOKOSA-N
MW316.36 g/mol
LogP1.50
Rot. Bonds3

About [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 100703517) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID100703517
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C([C@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C16H20N4O3/c21-16(15-2-1-6-19(15)12-3-4-12)18-7-5-14-11(10-18)8-13(9-17-14)20(22)23/h8-9,12,15H,1-7,10H2/t15-/m1/s1
InChIKeyUZWGFQVZQATSBH-OAHLLOKOSA-N
XLogP1.50
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
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 [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 100703517) is [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C([C@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1.
What is the InChIKey of [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is UZWGFQVZQATSBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(15-2-1-6-19(15)12-3-4-12)18-7-5-14-11(10-18)8-13(9-17-14)20(22)23/h8-9,12,15H,1-7,10H2/t15-/m1/s1.
What are the key properties of [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 100703517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).