N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

C19H22N4O2 — CID 109208926

IUPACN-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)c1
InChIInChI=1S/C19H22N4O2/c1-14-9-15(2)11-16(10-14)21-19(25)18-12-17(3-4-20-18)23-7-5-22(13-24)6-8-23/h3-4,9-13H,5-8H2,1-2H3,(H,21,25)
InChIKeyGXRNNIIMTGFYAR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.23
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208926) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208926
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)c1
InChIInChI=1S/C19H22N4O2/c1-14-9-15(2)11-16(10-14)21-19(25)18-12-17(3-4-20-18)23-7-5-22(13-24)6-8-23/h3-4,9-13H,5-8H2,1-2H3,(H,21,25)
InChIKeyGXRNNIIMTGFYAR-UHFFFAOYSA-N
XLogP2.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.23
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-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209202
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208926) is N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is GXRNNIIMTGFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-9-15(2)11-16(10-14)21-19(25)18-12-17(3-4-20-18)23-7-5-22(13-24)6-8-23/h3-4,9-13H,5-8H2,1-2H3,(H,21,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).