N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide

C19H19N3O2 — CID 138026756

IUPACN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2oc(C(=O)NCCc3cnc(C4CC4)nc3)cc12
InChIInChI=1S/C19H19N3O2/c1-12-3-2-4-16-15(12)9-17(24-16)19(23)20-8-7-13-10-21-18(22-11-13)14-5-6-14/h2-4,9-11,14H,5-8H2,1H3,(H,20,23)
InChIKeyBLQVODPRROZYAW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide

N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide (PubChem CID 138026756) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide
PubChem CID138026756
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2oc(C(=O)NCCc3cnc(C4CC4)nc3)cc12
InChIInChI=1S/C19H19N3O2/c1-12-3-2-4-16-15(12)9-17(24-16)19(23)20-8-7-13-10-21-18(22-11-13)14-5-6-14/h2-4,9-11,14H,5-8H2,1H3,(H,20,23)
InChIKeyBLQVODPRROZYAW-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529275
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 138023366
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxochromene-2-carboxamide
CID 91629299
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide (CID 138026756) is N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide is Cc1cccc2oc(C(=O)NCCc3cnc(C4CC4)nc3)cc12.
What is the InChIKey of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BLQVODPRROZYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-3-2-4-16-15(12)9-17(24-16)19(23)20-8-7-13-10-21-18(22-11-13)14-5-6-14/h2-4,9-11,14H,5-8H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide?
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 138026756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).