3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde

C10H13N3O — CID 151863774

IUPAC3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(Nc2ccccn2)C1
InChIInChI=1S/C10H13N3O/c14-8-13-6-4-9(7-13)12-10-3-1-2-5-11-10/h1-3,5,8-9H,4,6-7H2,(H,11,12)
InChIKeySLGBQKRQTNWRAH-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.72
Rot. Bonds3

About 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde

3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde (PubChem CID 151863774) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
PubChem CID151863774
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(Nc2ccccn2)C1
InChIInChI=1S/C10H13N3O/c14-8-13-6-4-9(7-13)12-10-3-1-2-5-11-10/h1-3,5,8-9H,4,6-7H2,(H,11,12)
InChIKeySLGBQKRQTNWRAH-UHFFFAOYSA-N
XLogP0.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
CID 175109360
3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
CID 134069519
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
N-(thian-4-yl)pyridin-2-amine
CID 68572241
N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
N-piperidin-3-ylpyridin-2-amine
CID 63321128
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
N-(3-fluorocyclopentyl)pyridin-2-amine
CID 126993545

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde (CID 151863774) is 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde is O=CN1CCC(Nc2ccccn2)C1.
What is the InChIKey of 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde?
The InChIKey is SLGBQKRQTNWRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-8-13-6-4-9(7-13)12-10-3-1-2-5-11-10/h1-3,5,8-9H,4,6-7H2,(H,11,12).
What are the key properties of 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde?
3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 151863774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).