N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide

C24H26FN5O2 — CID 134799833

IUPACN-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3nccc(Nc4ccccc4F)n3)CC2)cc1
InChIInChI=1S/C24H26FN5O2/c1-32-19-8-6-17(7-9-19)16-23(31)27-18-11-14-30(15-12-18)24-26-13-10-22(29-24)28-21-5-3-2-4-20(21)25/h2-10,13,18H,11-12,14-16H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyMRBQRPSYRZOVRH-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.70
Rot. Bonds7

About N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide

N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 134799833) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID134799833
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3nccc(Nc4ccccc4F)n3)CC2)cc1
InChIInChI=1S/C24H26FN5O2/c1-32-19-8-6-17(7-9-19)16-23(31)27-18-11-14-30(15-12-18)24-26-13-10-22(29-24)28-21-5-3-2-4-20(21)25/h2-10,13,18H,11-12,14-16H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyMRBQRPSYRZOVRH-UHFFFAOYSA-N
XLogP3.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Lexibulin
CID 11351021
3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Narmafotinib
CID 60162119
p-(18F)MPPF
CID 5352127
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
4-((4-(4-(4-Fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yl)oxy)benzamide
CID 9890357
Pyridinyl pyrimidine 40
CID 11655925
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648341
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648342

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide (CID 134799833) is N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCN(c3nccc(Nc4ccccc4F)n3)CC2)cc1.
What is the InChIKey of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MRBQRPSYRZOVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-19-8-6-17(7-9-19)16-23(31)27-18-11-14-30(15-12-18)24-26-13-10-22(29-24)28-21-5-3-2-4-20(21)25/h2-10,13,18H,11-12,14-16H2,1H3,(H,27,31)(H,26,28,29).
What are the key properties of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 134799833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).