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

C17H17ClN4O2 — CID 109230953

IUPACN-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=CN1CCN(c2cncc(C(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-15-3-1-2-4-16(15)20-17(24)13-9-14(11-19-10-13)22-7-5-21(12-23)6-8-22/h1-4,9-12H,5-8H2,(H,20,24)
InChIKeyJKALFNXHLOKXHC-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.27
Rot. Bonds4

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

N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230953) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230953
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=CN1CCN(c2cncc(C(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-15-3-1-2-4-16(15)20-17(24)13-9-14(11-19-10-13)22-7-5-21(12-23)6-8-22/h1-4,9-12H,5-8H2,(H,20,24)
InChIKeyJKALFNXHLOKXHC-UHFFFAOYSA-N
XLogP2.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.27
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)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(2-tert-butylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230949
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230952
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(2-chlorophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345639
5-(4-formylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109230884
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230953) is N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is O=CN1CCN(c2cncc(C(=O)Nc3ccccc3Cl)c2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is JKALFNXHLOKXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-15-3-1-2-4-16(15)20-17(24)13-9-14(11-19-10-13)22-7-5-21(12-23)6-8-22/h1-4,9-12H,5-8H2,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).