4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide

C14H20N4O2 — CID 109201305

IUPAC4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C14H20N4O2/c1-11(2)16-14(20)13-9-12(3-4-15-13)18-7-5-17(10-19)6-8-18/h3-4,9-11H,5-8H2,1-2H3,(H,16,20)
InChIKeyLDMDECUQIVHAMP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.50
Rot. Bonds4

About 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide

4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109201305) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109201305
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C14H20N4O2/c1-11(2)16-14(20)13-9-12(3-4-15-13)18-7-5-17(10-19)6-8-18/h3-4,9-11H,5-8H2,1-2H3,(H,16,20)
InChIKeyLDMDECUQIVHAMP-UHFFFAOYSA-N
XLogP0.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.50
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

4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide (CID 109201305) is 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(N2CCN(C=O)CC2)ccn1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is LDMDECUQIVHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11(2)16-14(20)13-9-12(3-4-15-13)18-7-5-17(10-19)6-8-18/h3-4,9-11H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide?
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109201305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).