(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid

C15H14N2O3 — CID 137460557

IUPAC(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid
SMILESO=C(O)NCC1OCc2c(-c3ccccn3)cccc21
InChIInChI=1S/C15H14N2O3/c18-15(19)17-8-14-11-5-3-4-10(12(11)9-20-14)13-6-1-2-7-16-13/h1-7,14,17H,8-9H2,(H,18,19)
InChIKeyRKJZTHLQSBPMPR-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.59
Rot. Bonds3

About (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid

(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid (PubChem CID 137460557) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid
PubChem CID137460557
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid
SMILESO=C(O)NCC1OCc2c(-c3ccccn3)cccc21
InChIInChI=1S/C15H14N2O3/c18-15(19)17-8-14-11-5-3-4-10(12(11)9-20-14)13-6-1-2-7-16-13/h1-7,14,17H,8-9H2,(H,18,19)
InChIKeyRKJZTHLQSBPMPR-UHFFFAOYSA-N
XLogP2.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460678
N-methyl-1-[(1S)-6-pyridin-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]methanamine
CID 137460622
N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine
CID 137460813
(6-pyridin-4-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methylcarbamic acid
CID 137460338
methyl N-[(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methyl]carbamate
CID 137460468
[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460177
(6-pyridin-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methanamine;hydrochloride
CID 137460486
(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol
CID 137460417
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
2-[2-(oxolan-2-yl)phenyl]pyridine
CID 122204034
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
methyl N-[[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137460155

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid?
The IUPAC name of (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid (CID 137460557) is (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid.
What is the SMILES notation for (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid?
The canonical SMILES for (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid is O=C(O)NCC1OCc2c(-c3ccccn3)cccc21.
What is the InChIKey of (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid?
The InChIKey is RKJZTHLQSBPMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(19)17-8-14-11-5-3-4-10(12(11)9-20-14)13-6-1-2-7-16-13/h1-7,14,17H,8-9H2,(H,18,19).
What are the key properties of (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid?
(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid has a molecular weight of 270.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid is sourced from PubChem (CID 137460557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).