4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C14H18N4O2 — CID 109201896

IUPAC4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cc(NC3CC3)ccn2)CC1
InChIInChI=1S/C14H18N4O2/c19-10-17-5-7-18(8-6-17)14(20)13-9-12(3-4-15-13)16-11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,15,16)
InChIKeyYEGRJLLIKDLGTC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.57
Rot. Bonds4

About 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109201896) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109201896
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cc(NC3CC3)ccn2)CC1
InChIInChI=1S/C14H18N4O2/c19-10-17-5-7-18(8-6-17)14(20)13-9-12(3-4-15-13)16-11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,15,16)
InChIKeyYEGRJLLIKDLGTC-UHFFFAOYSA-N
XLogP0.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208824
4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208785
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
ethyl 4-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208836
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208752
4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208801

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109201896) is 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2cc(NC3CC3)ccn2)CC1.
What is the InChIKey of 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is YEGRJLLIKDLGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-10-17-5-7-18(8-6-17)14(20)13-9-12(3-4-15-13)16-11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,15,16).
What are the key properties of 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109201896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).