4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide

C17H24N4O3 — CID 109084669

IUPAC4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C17H24N4O3/c1-2-3-4-6-19-16(23)15-12-14(5-7-18-15)17(24)21-10-8-20(13-22)9-11-21/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,19,23)
InChIKeyRPISJZHODCXWBS-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.92
Rot. Bonds7

About 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide

4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide (PubChem CID 109084669) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
PubChem CID109084669
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C17H24N4O3/c1-2-3-4-6-19-16(23)15-12-14(5-7-18-15)17(24)21-10-8-20(13-22)9-11-21/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,19,23)
InChIKeyRPISJZHODCXWBS-UHFFFAOYSA-N
XLogP0.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084647
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide (CID 109084669) is 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(C(=O)N2CCN(C=O)CC2)ccn1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide?
The InChIKey is RPISJZHODCXWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-3-4-6-19-16(23)15-12-14(5-7-18-15)17(24)21-10-8-20(13-22)9-11-21/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,19,23).
What are the key properties of 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide?
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109084669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).