N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C21H19F2N5O — CID 109160574

IUPACN-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C21H19F2N5O/c22-16-5-6-18(17(23)13-16)26-21(29)15-4-7-20(25-14-15)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyCVCPCJZUUFTWQX-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.33
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109160574) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109160574
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC NameN-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C21H19F2N5O/c22-16-5-6-18(17(23)13-16)26-21(29)15-4-7-20(25-14-15)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyCVCPCJZUUFTWQX-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)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124140
N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3567091
N-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499
[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160643
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109160574) is N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is CVCPCJZUUFTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-16-5-6-18(17(23)13-16)26-21(29)15-4-7-20(25-14-15)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,26,29).
What are the key properties of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-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)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109160574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).