N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide

C21H17N3O3 — CID 56522299

IUPACN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)oc2c(C)cccc12
InChIInChI=1S/C21H17N3O3/c1-12-5-3-8-17-13(2)19(27-18(12)17)21(26)24-15-10-22-20(23-11-15)14-6-4-7-16(25)9-14/h3-11,25H,1-2H3,(H,24,26)
InChIKeyZDLPSAZWDPDYQH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.46
Rot. Bonds3

About N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 56522299) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
PubChem CID56522299
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)oc2c(C)cccc12
InChIInChI=1S/C21H17N3O3/c1-12-5-3-8-17-13(2)19(27-18(12)17)21(26)24-15-10-22-20(23-11-15)14-6-4-7-16(25)9-14/h3-11,25H,1-2H3,(H,24,26)
InChIKeyZDLPSAZWDPDYQH-UHFFFAOYSA-N
XLogP4.46
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
CID 75436300
N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 60564685
2-(2,4-dimethylphenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 56522430
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 136519991
3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 60567420
N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 55996326
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 56522052
3,7-dimethyl-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 47366244
(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide (CID 56522299) is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)oc2c(C)cccc12.
What is the InChIKey of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZDLPSAZWDPDYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-12-5-3-8-17-13(2)19(27-18(12)17)21(26)24-15-10-22-20(23-11-15)14-6-4-7-16(25)9-14/h3-11,25H,1-2H3,(H,24,26).
What are the key properties of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56522299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).