5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide

C25H27ClFN5O2 — CID 169085630

IUPAC5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
SMILESCOc1cccc(F)c1N(C)C(=O)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl
InChIInChI=1S/C25H27ClFN5O2/c1-30-11-13-32(14-12-30)18-9-7-17(8-10-18)29-23-15-19(20(26)16-28-23)25(33)31(2)24-21(27)5-4-6-22(24)34-3/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
InChIKeyIMTGFOFGSQYGIC-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.65
Rot. Bonds6

About 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide

5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide (PubChem CID 169085630) has the molecular formula C25H27ClFN5O2 and a molecular weight of 483.98 g/mol. Its IUPAC name is 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
PubChem CID169085630
Molecular FormulaC25H27ClFN5O2
Molecular Weight483.98 g/mol
Exact Mass483.18
IUPAC Name5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
SMILESCOc1cccc(F)c1N(C)C(=O)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl
InChIInChI=1S/C25H27ClFN5O2/c1-30-11-13-32(14-12-30)18-9-7-17(8-10-18)29-23-15-19(20(26)16-28-23)25(33)31(2)24-21(27)5-4-6-22(24)34-3/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
InChIKeyIMTGFOFGSQYGIC-UHFFFAOYSA-N
XLogP4.65
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea
CID 165023371
4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501362
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
2-N-(2,6-dichloro-3,5-dimethoxyphenyl)-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-b]pyrazine-2,6-diamine
CID 175708215
5-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 126565878
3-(2-chloro-5-methoxy-3-methylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 166717532
4-(2-methoxyanilino)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 44536053
methyl 3-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate
CID 162721140
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
3-(2,6-diethylphenyl)-1-(2,4-dimethoxyphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 118899272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide (CID 169085630) is 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide is COc1cccc(F)c1N(C)C(=O)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The InChIKey is IMTGFOFGSQYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN5O2/c1-30-11-13-32(14-12-30)18-9-7-17(8-10-18)29-23-15-19(20(26)16-28-23)25(33)31(2)24-21(27)5-4-6-22(24)34-3/h4-10,15-16H,11-14H2,1-3H3,(H,28,29).
What are the key properties of 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 169085630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).