N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide

C17H17N3O2 — CID 45207708

IUPACN-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1Cc2cccc(-c3ncccn3)c2O1)C1CC1
InChIInChI=1S/C17H17N3O2/c21-17(11-5-6-11)20-10-13-9-12-3-1-4-14(15(12)22-13)16-18-7-2-8-19-16/h1-4,7-8,11,13H,5-6,9-10H2,(H,20,21)
InChIKeyXOVDWCGGXWEOPC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.97
Rot. Bonds4

About N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide

N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 45207708) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
PubChem CID45207708
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1Cc2cccc(-c3ncccn3)c2O1)C1CC1
InChIInChI=1S/C17H17N3O2/c21-17(11-5-6-11)20-10-13-9-12-3-1-4-14(15(12)22-13)16-18-7-2-8-19-16/h1-4,7-8,11,13H,5-6,9-10H2,(H,20,21)
InChIKeyXOVDWCGGXWEOPC-UHFFFAOYSA-N
XLogP1.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
CID 45166766
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42212363
(3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide
CID 42538916
2,4,5-trifluoro-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45176680
2,4,5-trifluoro-N-[[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42168406
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 125169083
(3S)-N-[[(2S)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidine-3-carboxamide
CID 42371342
N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45237594

Frequently Asked Questions

What is the IUPAC name of N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide (CID 45207708) is N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide is O=C(NCC1Cc2cccc(-c3ncccn3)c2O1)C1CC1.
What is the InChIKey of N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is XOVDWCGGXWEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(11-5-6-11)20-10-13-9-12-3-1-4-14(15(12)22-13)16-18-7-2-8-19-16/h1-4,7-8,11,13H,5-6,9-10H2,(H,20,21).
What are the key properties of N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide?
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 45207708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).