4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde

C11H14N2O — CID 102545487

IUPAC4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESCc1cc(N2CCCC2)ncc1C=O
InChIInChI=1S/C11H14N2O/c1-9-6-11(12-7-10(9)8-14)13-4-2-3-5-13/h6-8H,2-5H2,1H3
InChIKeyDMNRGXGNISFZER-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.80
Rot. Bonds2

About 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde

4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde (PubChem CID 102545487) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
PubChem CID102545487
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESCc1cc(N2CCCC2)ncc1C=O
InChIInChI=1S/C11H14N2O/c1-9-6-11(12-7-10(9)8-14)13-4-2-3-5-13/h6-8H,2-5H2,1H3
InChIKeyDMNRGXGNISFZER-UHFFFAOYSA-N
XLogP1.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.80
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

(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501946
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
CID 124501941
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
CID 124501966
(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
CID 102545495
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
6-(azetidin-1-yl)-4-[(E)-1-bromo-2-(dimethylamino)ethenyl]pyridine-3-carbaldehyde;ethene
CID 167449145
(NZ)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501972
(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 102545545
2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545544
6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde
CID 115034801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde (CID 102545487) is 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde is Cc1cc(N2CCCC2)ncc1C=O.
What is the InChIKey of 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is DMNRGXGNISFZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-6-11(12-7-10(9)8-14)13-4-2-3-5-13/h6-8H,2-5H2,1H3.
What are the key properties of 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 102545487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).