3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide

C23H25N5O2 — CID 68649585

IUPAC3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)c1
InChIInChI=1S/C23H25N5O2/c24-22(30)18-8-4-5-16(13-18)15-25-23-26-20(17-6-2-1-3-7-17)14-21(27-23)28-11-9-19(29)10-12-28/h1-8,13-14,19,29H,9-12,15H2,(H2,24,30)(H,25,26,27)
InChIKeyYISUUTJZDJYNRV-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.82
Rot. Bonds6

About 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide

3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 68649585) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide
PubChem CID68649585
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)c1
InChIInChI=1S/C23H25N5O2/c24-22(30)18-8-4-5-16(13-18)15-25-23-26-20(17-6-2-1-3-7-17)14-21(27-23)28-11-9-19(29)10-12-28/h1-8,13-14,19,29H,9-12,15H2,(H2,24,30)(H,25,26,27)
InChIKeyYISUUTJZDJYNRV-UHFFFAOYSA-N
XLogP2.82
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 11517478
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide
CID 141345390
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide
CID 155955817
[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
CID 67130428
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
1-[3-[(3-phenylphenyl)methylamino]-2-pyridinyl]piperidin-4-ol
CID 75391244

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide (CID 68649585) is 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide is NC(=O)c1cccc(CNc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)c1.
What is the InChIKey of 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is YISUUTJZDJYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-22(30)18-8-4-5-16(13-18)15-25-23-26-20(17-6-2-1-3-7-17)14-21(27-23)28-11-9-19(29)10-12-28/h1-8,13-14,19,29H,9-12,15H2,(H2,24,30)(H,25,26,27).
What are the key properties of 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide?
3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 68649585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).