N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide

C26H21F2N3O2 — CID 69189596

IUPACN-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC(O)(c1ccc(F)cc1)c1ccc(CN(C(=O)c2cccnc2)c2ccc(F)cc2)cn1
InChIInChI=1S/C26H21F2N3O2/c1-26(33,20-5-7-21(27)8-6-20)24-13-4-18(15-30-24)17-31(23-11-9-22(28)10-12-23)25(32)19-3-2-14-29-16-19/h2-16,33H,17H2,1H3
InChIKeyIPIRLXNMNYNZMA-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.86
Rot. Bonds6

About N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 69189596) has the molecular formula C26H21F2N3O2 and a molecular weight of 445.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID69189596
Molecular FormulaC26H21F2N3O2
Molecular Weight445.47 g/mol
Exact Mass445.16
IUPAC NameN-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC(O)(c1ccc(F)cc1)c1ccc(CN(C(=O)c2cccnc2)c2ccc(F)cc2)cn1
InChIInChI=1S/C26H21F2N3O2/c1-26(33,20-5-7-21(27)8-6-20)24-13-4-18(15-30-24)17-31(23-11-9-22(28)10-12-23)25(32)19-3-2-14-29-16-19/h2-16,33H,17H2,1H3
InChIKeyIPIRLXNMNYNZMA-UHFFFAOYSA-N
XLogP4.86
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 69189596) is N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide is CC(O)(c1ccc(F)cc1)c1ccc(CN(C(=O)c2cccnc2)c2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is IPIRLXNMNYNZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O2/c1-26(33,20-5-7-21(27)8-6-20)24-13-4-18(15-30-24)17-31(23-11-9-22(28)10-12-23)25(32)19-3-2-14-29-16-19/h2-16,33H,17H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[6-[1-(4-fluorophenyl)-1-hydroxyethyl]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 69189596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).