3-(2-amino-4-methyl-3-pyridinyl)propanal

C9H12N2O — CID 64522521

IUPAC3-(2-amino-4-methyl-3-pyridinyl)propanal
SMILESCc1ccnc(N)c1CCC=O
InChIInChI=1S/C9H12N2O/c1-7-4-5-11-9(10)8(7)3-2-6-12/h4-6H,2-3H2,1H3,(H2,10,11)
InChIKeyMUDMBSYZCDOOHU-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.10
Rot. Bonds3

About 3-(2-amino-4-methyl-3-pyridinyl)propanal

3-(2-amino-4-methyl-3-pyridinyl)propanal (PubChem CID 64522521) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(2-amino-4-methyl-3-pyridinyl)propanal.

Molecular Properties

Compound Name3-(2-amino-4-methyl-3-pyridinyl)propanal
PubChem CID64522521
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(2-amino-4-methyl-3-pyridinyl)propanal
SMILESCc1ccnc(N)c1CCC=O
InChIInChI=1S/C9H12N2O/c1-7-4-5-11-9(10)8(7)3-2-6-12/h4-6H,2-3H2,1H3,(H2,10,11)
InChIKeyMUDMBSYZCDOOHU-UHFFFAOYSA-N
XLogP1.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.10
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

4,5-Dimethylpyridin-2-amine
CID 12404013
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
3-cyclohexyl-N-(4-methylpyridin-2-yl)propanamide
CID 887275
3,4-Dimethylpyridin-2-amine
CID 11007884
5-Ethyl-4-methyl-pyridin-2-ylamine
CID 15287360
2-phenyl-N-pyridin-2-ylpropanamide
CID 3107581
3-(Pyridin-3-yl)propanal
CID 11105412
5-Tert-butylpyridin-2-amine
CID 20587962
3-Pyridinecarboxaldehyde, 2-amino-
CID 737633
6-(Dimethylamino)pyridine-3-carbaldehyde
CID 11240577
3-(Propan-2-yl)pyridin-2-amine
CID 17962422

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methyl-3-pyridinyl)propanal?
The IUPAC name of 3-(2-amino-4-methyl-3-pyridinyl)propanal (CID 64522521) is 3-(2-amino-4-methyl-3-pyridinyl)propanal.
What is the SMILES notation for 3-(2-amino-4-methyl-3-pyridinyl)propanal?
The canonical SMILES for 3-(2-amino-4-methyl-3-pyridinyl)propanal is Cc1ccnc(N)c1CCC=O.
What is the InChIKey of 3-(2-amino-4-methyl-3-pyridinyl)propanal?
The InChIKey is MUDMBSYZCDOOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-5-11-9(10)8(7)3-2-6-12/h4-6H,2-3H2,1H3,(H2,10,11).
What are the key properties of 3-(2-amino-4-methyl-3-pyridinyl)propanal?
3-(2-amino-4-methyl-3-pyridinyl)propanal has a molecular weight of 164.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methyl-3-pyridinyl)propanal is sourced from PubChem (CID 64522521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).