N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C24H25FN4O2 — CID 46951688

IUPACN-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)ccn2)CC1
InChIInChI=1S/C24H25FN4O2/c1-28-12-14-29(15-13-28)23-16-18(10-11-26-23)24(30)27-20-6-8-21(9-7-20)31-17-19-4-2-3-5-22(19)25/h2-11,16H,12-15,17H2,1H3,(H,27,30)
InChIKeyCXTUIAGMTXUCJZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.80
Rot. Bonds6

About N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 46951688) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID46951688
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)ccn2)CC1
InChIInChI=1S/C24H25FN4O2/c1-28-12-14-29(15-13-28)23-16-18(10-11-26-23)24(30)27-20-6-8-21(9-7-20)31-17-19-4-2-3-5-22(19)25/h2-11,16H,12-15,17H2,1H3,(H,27,30)
InChIKeyCXTUIAGMTXUCJZ-UHFFFAOYSA-N
XLogP3.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 46951688) is N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)ccn2)CC1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is CXTUIAGMTXUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-28-12-14-29(15-13-28)23-16-18(10-11-26-23)24(30)27-20-6-8-21(9-7-20)31-17-19-4-2-3-5-22(19)25/h2-11,16H,12-15,17H2,1H3,(H,27,30).
What are the key properties of N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46951688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).