(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone

C13H17ClN2O — CID 112695912

IUPAC(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C13H17ClN2O/c1-2-4-10-7-8-16(9-10)13(17)11-5-3-6-12(14)15-11/h3,5-6,10H,2,4,7-9H2,1H3
InChIKeyNWSJQMWZBDDIPY-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.00
Rot. Bonds3

About (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone

(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 112695912) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID112695912
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C13H17ClN2O/c1-2-4-10-7-8-16(9-10)13(17)11-5-3-6-12(14)15-11/h3,5-6,10H,2,4,7-9H2,1H3
InChIKeyNWSJQMWZBDDIPY-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-2-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624904
1-(6-chloropyridine-2-carbonyl)-4-propylpyrrolidin-2-one
CID 104511675
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177346828
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone (CID 112695912) is (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2cccc(Cl)n2)C1.
What is the InChIKey of (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is NWSJQMWZBDDIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-4-10-7-8-16(9-10)13(17)11-5-3-6-12(14)15-11/h3,5-6,10H,2,4,7-9H2,1H3.
What are the key properties of (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone?
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112695912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).