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

C20H22N4O3 — CID 109084687

IUPACN-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccn2)c1C
InChIInChI=1S/C20H22N4O3/c1-14-4-3-5-17(15(14)2)22-19(26)18-12-16(6-7-21-18)20(27)24-10-8-23(13-25)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,22,26)
InChIKeyALDULFLLADOYOR-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.86
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109084687) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109084687
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccn2)c1C
InChIInChI=1S/C20H22N4O3/c1-14-4-3-5-17(15(14)2)22-19(26)18-12-16(6-7-21-18)20(27)24-10-8-23(13-25)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,22,26)
InChIKeyALDULFLLADOYOR-UHFFFAOYSA-N
XLogP1.86
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.86
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-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
2-N-(2,3-dimethylphenyl)-4-N-(2,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092030
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109084687) is N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is ALDULFLLADOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-4-3-5-17(15(14)2)22-19(26)18-12-16(6-7-21-18)20(27)24-10-8-23(13-25)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,22,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).