4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde

C12H14N4O — CID 170939362

IUPAC4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc(NCCc2cn[nH]c2)c1
InChIInChI=1S/C12H14N4O/c1-9-4-11(8-17)16-12(5-9)13-3-2-10-6-14-15-7-10/h4-8H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeySNFLPFAGTSNXPH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.58
Rot. Bonds5

About 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde

4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde (PubChem CID 170939362) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde
PubChem CID170939362
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc(NCCc2cn[nH]c2)c1
InChIInChI=1S/C12H14N4O/c1-9-4-11(8-17)16-12(5-9)13-3-2-10-6-14-15-7-10/h4-8H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeySNFLPFAGTSNXPH-UHFFFAOYSA-N
XLogP1.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde?
The IUPAC name of 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde (CID 170939362) is 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde?
The canonical SMILES for 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde is Cc1cc(C=O)nc(NCCc2cn[nH]c2)c1.
What is the InChIKey of 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde?
The InChIKey is SNFLPFAGTSNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-4-11(8-17)16-12(5-9)13-3-2-10-6-14-15-7-10/h4-8H,2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde?
4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde is sourced from PubChem (CID 170939362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).