5-(propan-2-ylamino)pyridine-2-carbaldehyde

C9H12N2O — CID 84651898

IUPAC5-(propan-2-ylamino)pyridine-2-carbaldehyde
SMILESCC(C)Nc1ccc(C=O)nc1
InChIInChI=1S/C9H12N2O/c1-7(2)11-8-3-4-9(6-12)10-5-8/h3-7,11H,1-2H3
InChIKeyDTGRPGRZZVCJLC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.71
Rot. Bonds3

About 5-(propan-2-ylamino)pyridine-2-carbaldehyde

5-(propan-2-ylamino)pyridine-2-carbaldehyde (PubChem CID 84651898) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(propan-2-ylamino)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(propan-2-ylamino)pyridine-2-carbaldehyde
PubChem CID84651898
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-(propan-2-ylamino)pyridine-2-carbaldehyde
SMILESCC(C)Nc1ccc(C=O)nc1
InChIInChI=1S/C9H12N2O/c1-7(2)11-8-3-4-9(6-12)10-5-8/h3-7,11H,1-2H3
InChIKeyDTGRPGRZZVCJLC-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 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 ≤ 51.71
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

5-(2-hydroxyethylamino)pyridine-2-carbaldehyde
CID 167016438
6-ethyl-N-propan-2-ylpyridin-3-amine
CID 178080028
6-methylsulfanyl-N-propan-2-ylpyridin-3-amine
CID 115929480
2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
CID 155384095
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde
CID 58876728
5-[4-[3,5-bis[4-(6-formyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbaldehyde
CID 163197808
N-propan-2-yl-1,6-naphthyridin-3-amine
CID 58584184
5-(fluoromethyl)pyridine-2-carbaldehyde
CID 45079502
5-(propan-2-ylamino)pyridine-2-carboximidamide
CID 115489626
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)pyridine-2-carbaldehyde?
The IUPAC name of 5-(propan-2-ylamino)pyridine-2-carbaldehyde (CID 84651898) is 5-(propan-2-ylamino)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(propan-2-ylamino)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(propan-2-ylamino)pyridine-2-carbaldehyde is CC(C)Nc1ccc(C=O)nc1.
What is the InChIKey of 5-(propan-2-ylamino)pyridine-2-carbaldehyde?
The InChIKey is DTGRPGRZZVCJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(2)11-8-3-4-9(6-12)10-5-8/h3-7,11H,1-2H3.
What are the key properties of 5-(propan-2-ylamino)pyridine-2-carbaldehyde?
5-(propan-2-ylamino)pyridine-2-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)pyridine-2-carbaldehyde is sourced from PubChem (CID 84651898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).