N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C32H29N3O3 — CID 23652435

IUPACN-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCC(C)(C)c1cccc(-c2ccccc2NC(=O)c2cccc3cc(Oc4cc(CO)ncn4)ccc23)c1
InChIInChI=1S/C32H29N3O3/c1-32(2,3)23-10-6-8-21(16-23)27-11-4-5-13-29(27)35-31(37)28-12-7-9-22-17-25(14-15-26(22)28)38-30-18-24(19-36)33-20-34-30/h4-18,20,36H,19H2,1-3H3,(H,35,37)
InChIKeyYEWUSXBRDMUFAU-UHFFFAOYSA-N
MW503.60 g/mol
LogP7.13
Rot. Bonds6

About N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 23652435) has the molecular formula C32H29N3O3 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID23652435
Molecular FormulaC32H29N3O3
Molecular Weight503.60 g/mol
Exact Mass503.22
IUPAC NameN-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCC(C)(C)c1cccc(-c2ccccc2NC(=O)c2cccc3cc(Oc4cc(CO)ncn4)ccc23)c1
InChIInChI=1S/C32H29N3O3/c1-32(2,3)23-10-6-8-21(16-23)27-11-4-5-13-29(27)35-31(37)28-12-7-9-22-17-25(14-15-26(22)28)38-30-18-24(19-36)33-20-34-30/h4-18,20,36H,19H2,1-3H3,(H,35,37)
InChIKeyYEWUSXBRDMUFAU-UHFFFAOYSA-N
XLogP7.13
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
CID 178083953
CID 178083953
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813417
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652495
N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813351
6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 68746787
N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 91298326
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;N-(2-phenylphenyl)naphthalene-1-carboxamide;titanium;dihydrochloride
CID 173106883
6-(6-aminopyrimidin-4-yl)oxy-N-[2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 90894187
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 23652435) is N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is CC(C)(C)c1cccc(-c2ccccc2NC(=O)c2cccc3cc(Oc4cc(CO)ncn4)ccc23)c1.
What is the InChIKey of N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is YEWUSXBRDMUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3/c1-32(2,3)23-10-6-8-21(16-23)27-11-4-5-13-29(27)35-31(37)28-12-7-9-22-17-25(14-15-26(22)28)38-30-18-24(19-36)33-20-34-30/h4-18,20,36H,19H2,1-3H3,(H,35,37).
What are the key properties of N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 7.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 23652435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).