N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide

C27H26FN5O2 — CID 135360208

IUPACN-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)Cc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C27H26FN5O2/c1-27(2,16-33-25(35)21-6-3-4-8-24(21)34)13-23-20(7-5-11-30-23)17-9-10-19(22(28)12-17)18-14-31-26(29)32-15-18/h3-12,14-15,34H,13,16H2,1-2H3,(H,33,35)(H2,29,31,32)
InChIKeyNCYIGHXZDKPWIX-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.63
Rot. Bonds7

About N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide

N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide (PubChem CID 135360208) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
PubChem CID135360208
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC NameN-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccccc1O)Cc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C27H26FN5O2/c1-27(2,16-33-25(35)21-6-3-4-8-24(21)34)13-23-20(7-5-11-30-23)17-9-10-19(22(28)12-17)18-14-31-26(29)32-15-18/h3-12,14-15,34H,13,16H2,1-2H3,(H,33,35)(H2,29,31,32)
InChIKeyNCYIGHXZDKPWIX-UHFFFAOYSA-N
XLogP4.63
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide (CID 135360208) is N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide is CC(C)(CNC(=O)c1ccccc1O)Cc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
The InChIKey is NCYIGHXZDKPWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-27(2,16-33-25(35)21-6-3-4-8-24(21)34)13-23-20(7-5-11-30-23)17-9-10-19(22(28)12-17)18-14-31-26(29)32-15-18/h3-12,14-15,34H,13,16H2,1-2H3,(H,33,35)(H2,29,31,32).
What are the key properties of N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide?
N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide has a molecular weight of 471.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 135360208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).