1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea

C15H15N3O2 — CID 97331934

IUPAC1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)N[C@H]1COc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-10-8-16-7-6-12(10)17-15(19)18-13-9-20-14-5-3-2-4-11(13)14/h2-8,13H,9H2,1H3,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyMPKWDCKPKIOGGM-ZDUSSCGKSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds2

About 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea

1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 97331934) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID97331934
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)N[C@H]1COc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-10-8-16-7-6-12(10)17-15(19)18-13-9-20-14-5-3-2-4-11(13)14/h2-8,13H,9H2,1H3,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyMPKWDCKPKIOGGM-ZDUSSCGKSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea (CID 97331934) is 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea is Cc1cnccc1NC(=O)N[C@H]1COc2ccccc21.
What is the InChIKey of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is MPKWDCKPKIOGGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-16-7-6-12(10)17-15(19)18-13-9-20-14-5-3-2-4-11(13)14/h2-8,13H,9H2,1H3,(H2,16,17,18,19)/t13-/m0/s1.
What are the key properties of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea?
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 269.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 97331934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).