N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H17F2N5O — CID 162660499

IUPACN-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H17F2N5O/c18-14-5-4-13(15(19)11-14)12-21-22-17(25)24-9-7-23(8-10-24)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2,(H,22,25)/b21-12+
InChIKeyBDZFARBGYZRYRF-CIAFOILYSA-N
MW345.35 g/mol
LogP2.23
Rot. Bonds3

About N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 162660499) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID162660499
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC NameN-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H17F2N5O/c18-14-5-4-13(15(19)11-14)12-21-22-17(25)24-9-7-23(8-10-24)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2,(H,22,25)/b21-12+
InChIKeyBDZFARBGYZRYRF-CIAFOILYSA-N
XLogP2.23
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 162660499) is N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/N=C/c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is BDZFARBGYZRYRF-CIAFOILYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-14-5-4-13(15(19)11-14)12-21-22-17(25)24-9-7-23(8-10-24)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2,(H,22,25)/b21-12+.
What are the key properties of N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-difluorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 162660499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).