N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide

C32H34N4O5 — CID 127024792

IUPACN-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide
SMILESCc1ncc(C)c(-c2ccc(N(Cc3ccc(OCCN4CCOCC4)cc3)C(=O)c3ccc(O)cc3O)cc2)n1
InChIInChI=1S/C32H34N4O5/c1-22-20-33-23(2)34-31(22)25-5-7-26(8-6-25)36(32(39)29-12-9-27(37)19-30(29)38)21-24-3-10-28(11-4-24)41-18-15-35-13-16-40-17-14-35/h3-12,19-20,37-38H,13-18,21H2,1-2H3
InChIKeyRLKCWZUKKXMWLC-UHFFFAOYSA-N
MW554.65 g/mol
LogP4.73
Rot. Bonds9

About N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide

N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide (PubChem CID 127024792) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide
PubChem CID127024792
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC NameN-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide
SMILESCc1ncc(C)c(-c2ccc(N(Cc3ccc(OCCN4CCOCC4)cc3)C(=O)c3ccc(O)cc3O)cc2)n1
InChIInChI=1S/C32H34N4O5/c1-22-20-33-23(2)34-31(22)25-5-7-26(8-6-25)36(32(39)29-12-9-27(37)19-30(29)38)21-24-3-10-28(11-4-24)41-18-15-35-13-16-40-17-14-35/h3-12,19-20,37-38H,13-18,21H2,1-2H3
InChIKeyRLKCWZUKKXMWLC-UHFFFAOYSA-N
XLogP4.73
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-2,4-Dihydroxy-N-(4-{[(Trifluoroacetyl)amino]methyl}benzyl)benzamide
CID 86280455
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 117972658
[(2S)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 117970892
N-benzyl-N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide
CID 117972524
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 141419973
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-morpholin-4-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419992
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-[2-(dimethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419993
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[(4-pyrimidin-5-ylpiperazin-1-yl)methyl]chromen-4-one
CID 164620755
[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 127024644
2,4-dimethoxy-N-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]benzamide
CID 137657061
[2-[2-(diethylamino)ethoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 162643688
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 162650989

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide (CID 127024792) is N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide is Cc1ncc(C)c(-c2ccc(N(Cc3ccc(OCCN4CCOCC4)cc3)C(=O)c3ccc(O)cc3O)cc2)n1.
What is the InChIKey of N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide?
The InChIKey is RLKCWZUKKXMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-22-20-33-23(2)34-31(22)25-5-7-26(8-6-25)36(32(39)29-12-9-27(37)19-30(29)38)21-24-3-10-28(11-4-24)41-18-15-35-13-16-40-17-14-35/h3-12,19-20,37-38H,13-18,21H2,1-2H3.
What are the key properties of N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide?
N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide has a molecular weight of 554.65 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 127024792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).