N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

C26H24N4O3 — CID 127024715

IUPACN-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C26H24N4O3/c1-3-19-15-28-17(2)29-25(19)20-6-8-21(9-7-20)30(16-18-5-4-12-27-14-18)26(33)23-11-10-22(31)13-24(23)32/h4-15,31-32H,3,16H2,1-2H3
InChIKeyDCNGBYQCXLQEGF-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.67
Rot. Bonds6

About N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 127024715) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID127024715
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C26H24N4O3/c1-3-19-15-28-17(2)29-25(19)20-6-8-21(9-7-20)30(16-18-5-4-12-27-14-18)26(33)23-11-10-22(31)13-24(23)32/h4-15,31-32H,3,16H2,1-2H3
InChIKeyDCNGBYQCXLQEGF-UHFFFAOYSA-N
XLogP4.67
TPSA99.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 127024715) is N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is CCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DCNGBYQCXLQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-19-15-28-17(2)29-25(19)20-6-8-21(9-7-20)30(16-18-5-4-12-27-14-18)26(33)23-11-10-22(31)13-24(23)32/h4-15,31-32H,3,16H2,1-2H3.
What are the key properties of N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-2-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 127024715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).