4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C25H27FN4O2 — CID 118045198

IUPAC4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C25H27FN4O2/c26-22-13-18(21-12-19(14-29-24(21)27)16-8-10-28-11-9-16)6-7-20(22)25(32)30-23(15-31)17-4-2-1-3-5-17/h1-7,12-14,16,23,28,31H,8-11,15H2,(H2,27,29)(H,30,32)/t23-/m1/s1
InChIKeyHWUNOUKLVWCJDR-HSZRJFAPSA-N
MW434.52 g/mol
LogP3.40
Rot. Bonds6

About 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118045198) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID118045198
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C25H27FN4O2/c26-22-13-18(21-12-19(14-29-24(21)27)16-8-10-28-11-9-16)6-7-20(22)25(32)30-23(15-31)17-4-2-1-3-5-17/h1-7,12-14,16,23,28,31H,8-11,15H2,(H2,27,29)(H,30,32)/t23-/m1/s1
InChIKeyHWUNOUKLVWCJDR-HSZRJFAPSA-N
XLogP3.40
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118045198) is 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.
What is the InChIKey of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is HWUNOUKLVWCJDR-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-22-13-18(21-12-19(14-29-24(21)27)16-8-10-28-11-9-16)6-7-20(22)25(32)30-23(15-31)17-4-2-1-3-5-17/h1-7,12-14,16,23,28,31H,8-11,15H2,(H2,27,29)(H,30,32)/t23-/m1/s1.
What are the key properties of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118045198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).