2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide

C19H20N4O3 — CID 109084786

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)c1
InChIInChI=1S/C19H20N4O3/c1-14-3-2-4-16(11-14)21-18(25)15-5-6-20-17(12-15)19(26)23-9-7-22(13-24)8-10-23/h2-6,11-13H,7-10H2,1H3,(H,21,25)
InChIKeyAYPOXTXIFWWCBP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide

2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 109084786) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID109084786
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)c1
InChIInChI=1S/C19H20N4O3/c1-14-3-2-4-16(11-14)21-18(25)15-5-6-20-17(12-15)19(26)23-9-7-22(13-24)8-10-23/h2-6,11-13H,7-10H2,1H3,(H,21,25)
InChIKeyAYPOXTXIFWWCBP-UHFFFAOYSA-N
XLogP1.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.56
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-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
4-[5-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186970
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-(3-acetylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046418

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide (CID 109084786) is 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)c1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is AYPOXTXIFWWCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-3-2-4-16(11-14)21-18(25)15-5-6-20-17(12-15)19(26)23-9-7-22(13-24)8-10-23/h2-6,11-13H,7-10H2,1H3,(H,21,25).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.56, 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-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).