2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde

C12H17N3O — CID 102539774

IUPAC2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCN(C)c1ccc(C2CCCN2C=O)cn1
InChIInChI=1S/C12H17N3O/c1-14(2)12-6-5-10(8-13-12)11-4-3-7-15(11)9-16/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyOFSFTDDDEPTZQK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.44
Rot. Bonds3

About 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde

2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde (PubChem CID 102539774) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
PubChem CID102539774
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCN(C)c1ccc(C2CCCN2C=O)cn1
InChIInChI=1S/C12H17N3O/c1-14(2)12-6-5-10(8-13-12)11-4-3-7-15(11)9-16/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyOFSFTDDDEPTZQK-UHFFFAOYSA-N
XLogP1.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(6-tert-butylsulfanyl-3-pyridinyl)pyrrolidine-1-carbaldehyde
CID 102542195
2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539255
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541139
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
CID 151121323
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
2-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539496
2-[6-(4-pentan-3-ylpiperazin-1-yl)-3-pyridinyl]piperidine-1-carbaldehyde;hydrochloride
CID 87603734
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95732568
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde (CID 102539774) is 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde is CN(C)c1ccc(C2CCCN2C=O)cn1.
What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde?
The InChIKey is OFSFTDDDEPTZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)12-6-5-10(8-13-12)11-4-3-7-15(11)9-16/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde?
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde has a molecular weight of 219.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 102539774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).