2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide

C15H20N4O3 — CID 109078029

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C15H20N4O3/c1-11(2)17-14(21)12-3-4-16-13(9-12)15(22)19-7-5-18(10-20)6-8-19/h3-4,9-11H,5-8H2,1-2H3,(H,17,21)
InChIKeyNLAZYZZGUZQPAR-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.13
Rot. Bonds4

About 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide

2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 109078029) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID109078029
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C15H20N4O3/c1-11(2)17-14(21)12-3-4-16-13(9-12)15(22)19-7-5-18(10-20)6-8-19/h3-4,9-11H,5-8H2,1-2H3,(H,17,21)
InChIKeyNLAZYZZGUZQPAR-UHFFFAOYSA-N
XLogP0.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.13
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-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide (CID 109078029) is 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is NLAZYZZGUZQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11(2)17-14(21)12-3-4-16-13(9-12)15(22)19-7-5-18(10-20)6-8-19/h3-4,9-11H,5-8H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 109078029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).