6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide

C24H26FN5O2 — CID 23728774

IUPAC6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1
InChIInChI=1S/C24H26FN5O2/c1-17-15-30(12-11-26-17)16-18-3-9-22(27-13-18)29(2)24(31)19-4-10-23(28-14-19)32-21-7-5-20(25)6-8-21/h3-10,13-14,17,26H,11-12,15-16H2,1-2H3/t17-/m0/s1
InChIKeyNDSYXEHBPYYHQW-KRWDZBQOSA-N
MW435.50 g/mol
LogP3.48
Rot. Bonds6

About 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide

6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 23728774) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID23728774
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1
InChIInChI=1S/C24H26FN5O2/c1-17-15-30(12-11-26-17)16-18-3-9-22(27-13-18)29(2)24(31)19-4-10-23(28-14-19)32-21-7-5-20(25)6-8-21/h3-10,13-14,17,26H,11-12,15-16H2,1-2H3/t17-/m0/s1
InChIKeyNDSYXEHBPYYHQW-KRWDZBQOSA-N
XLogP3.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide (CID 23728774) is 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide is C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1.
What is the InChIKey of 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NDSYXEHBPYYHQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-17-15-30(12-11-26-17)16-18-3-9-22(27-13-18)29(2)24(31)19-4-10-23(28-14-19)32-21-7-5-20(25)6-8-21/h3-10,13-14,17,26H,11-12,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide?
6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N-methyl-N-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 23728774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).