N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide

C25H26ClFN4O2 — CID 23728875

IUPACN-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1
InChIInChI=1S/C25H26ClFN4O2/c1-17-15-31(12-11-28-17)16-19-3-7-21(13-23(19)26)30(2)25(32)18-4-10-24(29-14-18)33-22-8-5-20(27)6-9-22/h3-10,13-14,17,28H,11-12,15-16H2,1-2H3/t17-/m0/s1
InChIKeyFXBMHOHXPVPWSS-KRWDZBQOSA-N
MW468.96 g/mol
LogP4.74
Rot. Bonds6

About N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide

N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide (PubChem CID 23728875) has the molecular formula C25H26ClFN4O2 and a molecular weight of 468.96 g/mol. Its IUPAC name is N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
PubChem CID23728875
Molecular FormulaC25H26ClFN4O2
Molecular Weight468.96 g/mol
Exact Mass468.17
IUPAC NameN-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1
InChIInChI=1S/C25H26ClFN4O2/c1-17-15-31(12-11-28-17)16-19-3-7-21(13-23(19)26)30(2)25(32)18-4-10-24(29-14-18)33-22-8-5-20(27)6-9-22/h3-10,13-14,17,28H,11-12,15-16H2,1-2H3/t17-/m0/s1
InChIKeyFXBMHOHXPVPWSS-KRWDZBQOSA-N
XLogP4.74
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-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

Related Compounds

Hsl-IN-1
CID 132569642
1-(1-(6-Chloronicotinoyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780165
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
2-(4-chlorophenoxy)-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586151
2-(4-chlorophenoxy)-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
CID 44586152
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
(6-(2-Chlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24770911
(6-(2-Chlorophenoxy)pyridin-3-yl)(4-cyclopentylpiperazin-1-yl)methanone
CID 24770912
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
(6-(3,4-Dichlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771241
(6-(3-Chlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771244

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide (CID 23728875) is N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide is C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide?
The InChIKey is FXBMHOHXPVPWSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26ClFN4O2/c1-17-15-31(12-11-28-17)16-19-3-7-21(13-23(19)26)30(2)25(32)18-4-10-24(29-14-18)33-22-8-5-20(27)6-9-22/h3-10,13-14,17,28H,11-12,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide?
N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide has a molecular weight of 468.96 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 23728875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).