6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide

C16H22N4O3 — CID 109094399

IUPAC6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)n1
InChIInChI=1S/C16H22N4O3/c1-12(2)10-17-15(22)13-4-3-5-14(18-13)16(23)20-8-6-19(11-21)7-9-20/h3-5,11-12H,6-10H2,1-2H3,(H,17,22)
InChIKeyRSDFUQAQPJAPJW-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.38
Rot. Bonds5

About 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide

6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109094399) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109094399
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)n1
InChIInChI=1S/C16H22N4O3/c1-12(2)10-17-15(22)13-4-3-5-14(18-13)16(23)20-8-6-19(11-21)7-9-20/h3-5,11-12H,6-10H2,1-2H3,(H,17,22)
InChIKeyRSDFUQAQPJAPJW-UHFFFAOYSA-N
XLogP0.38
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.38
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-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096898
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109096906
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096948
methyl 2-[[6-(4-formylpiperazine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109096981
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 115730327
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109094399) is 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)n1.
What is the InChIKey of 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is RSDFUQAQPJAPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(2)10-17-15(22)13-4-3-5-14(18-13)16(23)20-8-6-19(11-21)7-9-20/h3-5,11-12H,6-10H2,1-2H3,(H,17,22).
What are the key properties of 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109094399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).