N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

C18H17ClN4O3 — CID 109084701

IUPACN-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-14-3-1-2-4-15(14)21-17(25)16-11-13(5-6-20-16)18(26)23-9-7-22(12-24)8-10-23/h1-6,11-12H,7-10H2,(H,21,25)
InChIKeyXODWFVSNLLIGGW-UHFFFAOYSA-N
MW372.81 g/mol
LogP1.90
Rot. Bonds4

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

N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109084701) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109084701
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-14-3-1-2-4-15(14)21-17(25)16-11-13(5-6-20-16)18(26)23-9-7-22(12-24)8-10-23/h1-6,11-12H,7-10H2,(H,21,25)
InChIKeyXODWFVSNLLIGGW-UHFFFAOYSA-N
XLogP1.90
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 51.90
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-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
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
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-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109084701) is N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is O=CN1CCN(C(=O)c2ccnc(C(=O)Nc3ccccc3Cl)c2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is XODWFVSNLLIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-14-3-1-2-4-15(14)21-17(25)16-11-13(5-6-20-16)18(26)23-9-7-22(12-24)8-10-23/h1-6,11-12H,7-10H2,(H,21,25).
What are the key properties of N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).