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

C18H19ClN4O2 — CID 109084356

IUPACN-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-22-8-10-23(11-9-22)18(25)16-12-13(6-7-20-16)17(24)21-15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyAWVOCDREBQJEEA-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.37
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084356) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084356
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-22-8-10-23(11-9-22)18(25)16-12-13(6-7-20-16)17(24)21-15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyAWVOCDREBQJEEA-UHFFFAOYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361
N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084396
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084410
N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084394
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
N-(3,5-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083095
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084356) is N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is CN1CCN(C(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is AWVOCDREBQJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-22-8-10-23(11-9-22)18(25)16-12-13(6-7-20-16)17(24)21-15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).