1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea

C15H15N3O2 — CID 166209123

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea
SMILESCC1Oc2ccccc2C1NC(=O)Nc1cccnc1
InChIInChI=1S/C15H15N3O2/c1-10-14(12-6-2-3-7-13(12)20-10)18-15(19)17-11-5-4-8-16-9-11/h2-10,14H,1H3,(H2,17,18,19)
InChIKeyFKXKLYKLPZHEHX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea

1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea (PubChem CID 166209123) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea
PubChem CID166209123
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea
SMILESCC1Oc2ccccc2C1NC(=O)Nc1cccnc1
InChIInChI=1S/C15H15N3O2/c1-10-14(12-6-2-3-7-13(12)20-10)18-15(19)17-11-5-4-8-16-9-11/h2-10,14H,1H3,(H2,17,18,19)
InChIKeyFKXKLYKLPZHEHX-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyridin-3-ylurea
CID 40954267
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 97331934
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea
CID 154724441
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea (CID 166209123) is 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea is CC1Oc2ccccc2C1NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea?
The InChIKey is FKXKLYKLPZHEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-14(12-6-2-3-7-13(12)20-10)18-15(19)17-11-5-4-8-16-9-11/h2-10,14H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea?
1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea has a molecular weight of 269.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 166209123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).