4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide

C23H24FN5O — CID 110248773

IUPAC4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2C2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C23H24FN5O/c24-19-9-3-15(4-10-19)13-29-11-1-2-18(14-29)21-20(12-27-23(26)28-21)16-5-7-17(8-6-16)22(25)30/h3-10,12,18H,1-2,11,13-14H2,(H2,25,30)(H2,26,27,28)
InChIKeyCQLGSAYMSPGHGD-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.34
Rot. Bonds5

About 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide

4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide (PubChem CID 110248773) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
PubChem CID110248773
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2C2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C23H24FN5O/c24-19-9-3-15(4-10-19)13-29-11-1-2-18(14-29)21-20(12-27-23(26)28-21)16-5-7-17(8-6-16)22(25)30/h3-10,12,18H,1-2,11,13-14H2,(H2,25,30)(H2,26,27,28)
InChIKeyCQLGSAYMSPGHGD-UHFFFAOYSA-N
XLogP3.34
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248794
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806446
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806424
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587
4-[2-(dimethylamino)-4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618065
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248800
4-[(3S)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 95806761
4-[2-(dimethylamino)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618063
3-[2-amino-4-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806633

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide (CID 110248773) is 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)nc2C2CCCN(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide?
The InChIKey is CQLGSAYMSPGHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-19-9-3-15(4-10-19)13-29-11-1-2-18(14-29)21-20(12-27-23(26)28-21)16-5-7-17(8-6-16)22(25)30/h3-10,12,18H,1-2,11,13-14H2,(H2,25,30)(H2,26,27,28).
What are the key properties of 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide?
4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 110248773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).