4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

C24H26FN5O — CID 53078149

IUPAC4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H26FN5O/c25-20-8-4-18(5-9-20)23-26-13-12-22(29-23)28-21-10-6-19(7-11-21)24(31)27-14-17-30-15-2-1-3-16-30/h4-13H,1-3,14-17H2,(H,27,31)(H,26,28,29)
InChIKeySAXJTRZRAUFYQI-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.24
Rot. Bonds7

About 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 53078149) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID53078149
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H26FN5O/c25-20-8-4-18(5-9-20)23-26-13-12-22(29-23)28-21-10-6-19(7-11-21)24(31)27-14-17-30-15-2-1-3-16-30/h4-13H,1-3,14-17H2,(H,27,31)(H,26,28,29)
InChIKeySAXJTRZRAUFYQI-UHFFFAOYSA-N
XLogP4.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 53078208
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 11590339
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 46388753
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42673835
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (CID 53078149) is 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is SAXJTRZRAUFYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c25-20-8-4-18(5-9-20)23-26-13-12-22(29-23)28-21-10-6-19(7-11-21)24(31)27-14-17-30-15-2-1-3-16-30/h4-13H,1-3,14-17H2,(H,27,31)(H,26,28,29).
What are the key properties of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 53078149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).