2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide

C18H17N3O3 — CID 51090175

IUPAC2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(Oc3ncccn3)c2)c1C
InChIInChI=1S/C18H17N3O3/c1-11-12(2)23-13(3)16(11)17(22)21-14-6-4-7-15(10-14)24-18-19-8-5-9-20-18/h4-10H,1-3H3,(H,21,22)
InChIKeyIHDINUIIQKBJGM-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.04
Rot. Bonds4

About 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide

2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide (PubChem CID 51090175) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
PubChem CID51090175
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(Oc3ncccn3)c2)c1C
InChIInChI=1S/C18H17N3O3/c1-11-12(2)23-13(3)16(11)17(22)21-14-6-4-7-15(10-14)24-18-19-8-5-9-20-18/h4-10H,1-3H3,(H,21,22)
InChIKeyIHDINUIIQKBJGM-UHFFFAOYSA-N
XLogP4.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
CID 59787083
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 94096800
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 47067341
2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
CID 47093125
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
2,4,5-trimethyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 65151530
2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 48987270
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide (CID 51090175) is 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)Nc2cccc(Oc3ncccn3)c2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide?
The InChIKey is IHDINUIIQKBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-12(2)23-13(3)16(11)17(22)21-14-6-4-7-15(10-14)24-18-19-8-5-9-20-18/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide?
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide is sourced from PubChem (CID 51090175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).