N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

C23H19N5O3 — CID 127024716

IUPACN-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1nccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1
InChIInChI=1S/C23H19N5O3/c24-23-26-11-9-20(27-23)16-3-5-17(6-4-16)28(14-15-2-1-10-25-13-15)22(31)19-8-7-18(29)12-21(19)30/h1-13,29-30H,14H2,(H2,24,26,27)
InChIKeyLZPBHKDTKUKUHN-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 127024716) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID127024716
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1nccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1
InChIInChI=1S/C23H19N5O3/c24-23-26-11-9-20(27-23)16-3-5-17(6-4-16)28(14-15-2-1-10-25-13-15)22(31)19-8-7-18(29)12-21(19)30/h1-13,29-30H,14H2,(H2,24,26,27)
InChIKeyLZPBHKDTKUKUHN-UHFFFAOYSA-N
XLogP3.38
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 127024716) is N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is Nc1nccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1.
What is the InChIKey of N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LZPBHKDTKUKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c24-23-26-11-9-20(27-23)16-3-5-17(6-4-16)28(14-15-2-1-10-25-13-15)22(31)19-8-7-18(29)12-21(19)30/h1-13,29-30H,14H2,(H2,24,26,27).
What are the key properties of N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 413.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 127024716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).