5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide

C15H20N4O3 — CID 109101150

IUPAC5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C15H20N4O3/c1-2-3-17-14(21)12-8-13(10-16-9-12)15(22)19-6-4-18(11-20)5-7-19/h8-11H,2-7H2,1H3,(H,17,21)
InChIKeyNINPYGCOHQJQFM-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.14
Rot. Bonds5

About 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide

5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide (PubChem CID 109101150) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
PubChem CID109101150
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C15H20N4O3/c1-2-3-17-14(21)12-8-13(10-16-9-12)15(22)19-6-4-18(11-20)5-7-19/h8-11H,2-7H2,1H3,(H,17,21)
InChIKeyNINPYGCOHQJQFM-UHFFFAOYSA-N
XLogP0.14
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.14
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

3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104739
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109104691
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
4-[5-(3,5-dichloroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230853
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide (CID 109101150) is 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide?
The InChIKey is NINPYGCOHQJQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-3-17-14(21)12-8-13(10-16-9-12)15(22)19-6-4-18(11-20)5-7-19/h8-11H,2-7H2,1H3,(H,17,21).
What are the key properties of 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide?
5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109101150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).