N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

C15H22N4O2 — CID 109225130

IUPACN-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-3-12(2)17-15(21)13-8-14(10-16-9-13)19-6-4-18(11-20)5-7-19/h8-12H,3-7H2,1-2H3,(H,17,21)
InChIKeyDSLMMCTUCKUQHB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds5

About N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109225130) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109225130
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-3-12(2)17-15(21)13-8-14(10-16-9-13)19-6-4-18(11-20)5-7-19/h8-12H,3-7H2,1-2H3,(H,17,21)
InChIKeyDSLMMCTUCKUQHB-UHFFFAOYSA-N
XLogP0.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230952
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
5-(4-formylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109230884
N-(2-tert-butylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230949
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (CID 109225130) is N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(N2CCN(C=O)CC2)c1.
What is the InChIKey of N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is DSLMMCTUCKUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-12(2)17-15(21)13-8-14(10-16-9-13)19-6-4-18(11-20)5-7-19/h8-12H,3-7H2,1-2H3,(H,17,21).
What are the key properties of N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109225130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).