N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

C21H19F2N5O — CID 109174623

IUPACN-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H19F2N5O/c22-16-4-5-18(17(23)14-16)26-21(29)15-6-8-25-20(13-15)28-11-9-27(10-12-28)19-3-1-2-7-24-19/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyMUMVMOFADOVARX-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.33
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109174623) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109174623
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC NameN-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H19F2N5O/c22-16-4-5-18(17(23)14-16)26-21(29)15-6-8-25-20(13-15)28-11-9-27(10-12-28)19-3-1-2-7-24-19/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyMUMVMOFADOVARX-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124140
[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117086871
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360827
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 109174623) is N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccnc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is MUMVMOFADOVARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-16-4-5-18(17(23)14-16)26-21(29)15-6-8-25-20(13-15)28-11-9-27(10-12-28)19-3-1-2-7-24-19/h1-8,13-14H,9-12H2,(H,26,29).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109174623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).