N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

C19H22N4O2 — CID 109230941

IUPACN-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C19H22N4O2/c1-2-15-3-5-17(6-4-15)21-19(25)16-11-18(13-20-12-16)23-9-7-22(14-24)8-10-23/h3-6,11-14H,2,7-10H2,1H3,(H,21,25)
InChIKeyPBSHXHQUWHNPAF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.17
Rot. Bonds5

About N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230941) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230941
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C19H22N4O2/c1-2-15-3-5-17(6-4-15)21-19(25)16-11-18(13-20-12-16)23-9-7-22(14-24)8-10-23/h3-6,11-14H,2,7-10H2,1H3,(H,21,25)
InChIKeyPBSHXHQUWHNPAF-UHFFFAOYSA-N
XLogP2.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.17
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

methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230952
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(2-tert-butylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230949
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
ethyl 4-[[5-(4-acetylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109231269
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230902
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230941) is N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(N3CCN(C=O)CC3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is PBSHXHQUWHNPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-15-3-5-17(6-4-15)21-19(25)16-11-18(13-20-12-16)23-9-7-22(14-24)8-10-23/h3-6,11-14H,2,7-10H2,1H3,(H,21,25).
What are the key properties of N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).