N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide

C17H19N3O2 — CID 95137985

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)cn1
InChIInChI=1S/C17H19N3O2/c1-3-16-18-9-13(10-19-16)17(21)20(2)11-14-8-12-6-4-5-7-15(12)22-14/h4-7,9-10,14H,3,8,11H2,1-2H3/t14-/m1/s1
InChIKeyBVCZNFKXOOADOU-CQSZACIVSA-N
MW297.36 g/mol
LogP2.11
Rot. Bonds4

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide (PubChem CID 95137985) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
PubChem CID95137985
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)cn1
InChIInChI=1S/C17H19N3O2/c1-3-16-18-9-13(10-19-16)17(21)20(2)11-14-8-12-6-4-5-7-15(12)22-14/h4-7,9-10,14H,3,8,11H2,1-2H3/t14-/m1/s1
InChIKeyBVCZNFKXOOADOU-CQSZACIVSA-N
XLogP2.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 99956270
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide (CID 95137985) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide is CCc1ncc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)cn1.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide?
The InChIKey is BVCZNFKXOOADOU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-16-18-9-13(10-19-16)17(21)20(2)11-14-8-12-6-4-5-7-15(12)22-14/h4-7,9-10,14H,3,8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 95137985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).