N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

C17H16F2N4O2 — CID 109209004

IUPACN-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)Nc3c(F)cccc3F)c2)CC1
InChIInChI=1S/C17H16F2N4O2/c18-13-2-1-3-14(19)16(13)21-17(25)15-10-12(4-5-20-15)23-8-6-22(11-24)7-9-23/h1-5,10-11H,6-9H2,(H,21,25)
InChIKeyGLHTYTBQRANCLP-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.89
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109209004) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109209004
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)Nc3c(F)cccc3F)c2)CC1
InChIInChI=1S/C17H16F2N4O2/c18-13-2-1-3-14(19)16(13)21-17(25)15-10-12(4-5-20-15)23-8-6-22(11-24)7-9-23/h1-5,10-11H,6-9H2,(H,21,25)
InChIKeyGLHTYTBQRANCLP-UHFFFAOYSA-N
XLogP1.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.89
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-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208746
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208878
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109209004) is N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is O=CN1CCN(c2ccnc(C(=O)Nc3c(F)cccc3F)c2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is GLHTYTBQRANCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c18-13-2-1-3-14(19)16(13)21-17(25)15-10-12(4-5-20-15)23-8-6-22(11-24)7-9-23/h1-5,10-11H,6-9H2,(H,21,25).
What are the key properties of N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109209004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).