5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid

C17H14N2O5 — CID 167954859

IUPAC5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)Nc1ccc2oc(CO)cc2c1
InChIInChI=1S/C17H14N2O5/c1-9-14(6-11(7-18-9)17(22)23)16(21)19-12-2-3-15-10(4-12)5-13(8-20)24-15/h2-7,20H,8H2,1H3,(H,19,21)(H,22,23)
InChIKeyALKFBIPJQWFTCI-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.58
Rot. Bonds4

About 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid

5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid (PubChem CID 167954859) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid
PubChem CID167954859
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)Nc1ccc2oc(CO)cc2c1
InChIInChI=1S/C17H14N2O5/c1-9-14(6-11(7-18-9)17(22)23)16(21)19-12-2-3-15-10(4-12)5-13(8-20)24-15/h2-7,20H,8H2,1H3,(H,19,21)(H,22,23)
InChIKeyALKFBIPJQWFTCI-UHFFFAOYSA-N
XLogP2.58
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 63332915
5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690714
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid (CID 167954859) is 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1C(=O)Nc1ccc2oc(CO)cc2c1.
What is the InChIKey of 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is ALKFBIPJQWFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-9-14(6-11(7-18-9)17(22)23)16(21)19-12-2-3-15-10(4-12)5-13(8-20)24-15/h2-7,20H,8H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid?
5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 326.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamoyl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 167954859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).