[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate

C16H15N3O4 — CID 175366135

IUPAC[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate
SMILESCc1nc(OC(N)=O)ccc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C16H15N3O4/c1-9-11(6-7-14(18-9)23-16(17)21)19-15(20)13-8-10-4-2-3-5-12(10)22-13/h2-7,13H,8H2,1H3,(H2,17,21)(H,19,20)
InChIKeyBYMWMZBWAZHDSG-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.79
Rot. Bonds3

About [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate

[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate (PubChem CID 175366135) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate
PubChem CID175366135
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate
SMILESCc1nc(OC(N)=O)ccc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C16H15N3O4/c1-9-11(6-7-14(18-9)23-16(17)21)19-15(20)13-8-10-4-2-3-5-12(10)22-13/h2-7,13H,8H2,1H3,(H2,17,21)(H,19,20)
InChIKeyBYMWMZBWAZHDSG-UHFFFAOYSA-N
XLogP1.79
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56812846
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098079
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
(2R)-N-(3-methoxy-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95298416
(2R)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95568673

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate?
The IUPAC name of [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate (CID 175366135) is [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate.
What is the SMILES notation for [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate?
The canonical SMILES for [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate is Cc1nc(OC(N)=O)ccc1NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate?
The InChIKey is BYMWMZBWAZHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-11(6-7-14(18-9)23-16(17)21)19-15(20)13-8-10-4-2-3-5-12(10)22-13/h2-7,13H,8H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate?
[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate has a molecular weight of 313.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate is sourced from PubChem (CID 175366135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).