N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide

C18H18F2N4O2 — CID 109084394

IUPACN-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccn2)CC1
InChIInChI=1S/C18H18F2N4O2/c1-23-6-8-24(9-7-23)18(26)16-10-12(4-5-21-16)17(25)22-15-3-2-13(19)11-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeySOFDGWYFUGFTGZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.00
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084394) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084394
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccn2)CC1
InChIInChI=1S/C18H18F2N4O2/c1-23-6-8-24(9-7-23)18(26)16-10-12(4-5-21-16)17(25)22-15-3-2-13(19)11-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeySOFDGWYFUGFTGZ-UHFFFAOYSA-N
XLogP2.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353
N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084396
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
4-N-(2,4-difluorophenyl)-2-N-(2,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091777
2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109083105
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084394) is N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is CN1CCN(C(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccn2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is SOFDGWYFUGFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-23-6-8-24(9-7-23)18(26)16-10-12(4-5-21-16)17(25)22-15-3-2-13(19)11-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).