5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide

C24H25F2N5O2 — CID 135349164

IUPAC5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1ccc(C)nc1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H25F2N5O2/c1-16-3-8-21(29-23(32)20-13-19(26)14-27-24(20)33-2)22(28-16)31-11-9-30(10-12-31)15-17-4-6-18(25)7-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32)
InChIKeyGTEVSSCBDVYQGC-UHFFFAOYSA-N
MW453.49 g/mol
LogP3.65
Rot. Bonds6

About 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide

5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 135349164) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID135349164
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1ccc(C)nc1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H25F2N5O2/c1-16-3-8-21(29-23(32)20-13-19(26)14-27-24(20)33-2)22(28-16)31-11-9-30(10-12-31)15-17-4-6-18(25)7-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32)
InChIKeyGTEVSSCBDVYQGC-UHFFFAOYSA-N
XLogP3.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 135349164) is 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide is COc1ncc(F)cc1C(=O)Nc1ccc(C)nc1N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is GTEVSSCBDVYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-16-3-8-21(29-23(32)20-13-19(26)14-27-24(20)33-2)22(28-16)31-11-9-30(10-12-31)15-17-4-6-18(25)7-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32).
What are the key properties of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135349164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).