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

C27H31FN4O3 — CID 59262173

IUPAC6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C27H31FN4O3/c1-20-18-31(14-13-29-20)19-21-3-8-24(9-4-21)32(15-16-34-2)27(33)22-5-12-26(30-17-22)35-25-10-6-23(28)7-11-25/h3-12,17,20,29H,13-16,18-19H2,1-2H3/t20-/m0/s1
InChIKeyPCQYYIDMNZIVBC-FQEVSTJZSA-N
MW478.57 g/mol
LogP4.10
Rot. Bonds9

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

6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 59262173) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID59262173
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C27H31FN4O3/c1-20-18-31(14-13-29-20)19-21-3-8-24(9-4-21)32(15-16-34-2)27(33)22-5-12-26(30-17-22)35-25-10-6-23(28)7-11-25/h3-12,17,20,29H,13-16,18-19H2,1-2H3/t20-/m0/s1
InChIKeyPCQYYIDMNZIVBC-FQEVSTJZSA-N
XLogP4.10
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (CID 59262173) is 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is COCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1.
What is the InChIKey of 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is PCQYYIDMNZIVBC-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-20-18-31(14-13-29-20)19-21-3-8-24(9-4-21)32(15-16-34-2)27(33)22-5-12-26(30-17-22)35-25-10-6-23(28)7-11-25/h3-12,17,20,29H,13-16,18-19H2,1-2H3/t20-/m0/s1.
What are the key properties of 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N-(2-methoxyethyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59262173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).