(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C16H15N3O3 — CID 10913511

IUPAC(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H15N3O3/c20-16(12-5-7-14(8-6-12)19(21)22)18-10-2-4-15(18)13-3-1-9-17-11-13/h1,3,5-9,11,15H,2,4,10H2
InChIKeyKSVLQKSBYXTSEP-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.97
Rot. Bonds3

About (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 10913511) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID10913511
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H15N3O3/c20-16(12-5-7-14(8-6-12)19(21)22)18-10-2-4-15(18)13-3-1-9-17-11-13/h1,3,5-9,11,15H,2,4,10H2
InChIKeyKSVLQKSBYXTSEP-UHFFFAOYSA-N
XLogP2.97
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
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

[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 25415500
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 47019414
(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 5180105
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
imidazo[1,2-a]pyridin-6-yl-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97149736
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 10913511) is (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1cccnc1.
What is the InChIKey of (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is KSVLQKSBYXTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(12-5-7-14(8-6-12)19(21)22)18-10-2-4-15(18)13-3-1-9-17-11-13/h1,3,5-9,11,15H,2,4,10H2.
What are the key properties of (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 297.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 10913511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).