1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C24H26FN5O2 — CID 134795872

IUPAC1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C24H26FN5O2/c1-32-21-9-5-2-6-18(21)16-27-23(31)17-11-14-30(15-12-17)24-26-13-10-22(29-24)28-20-8-4-3-7-19(20)25/h2-10,13,17H,11-12,14-16H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyFRHFYLMLURWPSU-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.90
Rot. Bonds7

About 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 134795872) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID134795872
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C24H26FN5O2/c1-32-21-9-5-2-6-18(21)16-27-23(31)17-11-14-30(15-12-17)24-26-13-10-22(29-24)28-20-8-4-3-7-19(20)25/h2-10,13,17H,11-12,14-16H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyFRHFYLMLURWPSU-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 134795872) is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2nccc(Nc3ccccc3F)n2)CC1.
What is the InChIKey of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FRHFYLMLURWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-21-9-5-2-6-18(21)16-27-23(31)17-11-14-30(15-12-17)24-26-13-10-22(29-24)28-20-8-4-3-7-19(20)25/h2-10,13,17H,11-12,14-16H2,1H3,(H,27,31)(H,26,28,29).
What are the key properties of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134795872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).