2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid

C16H16N2O3 — CID 62710131

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-13(16(19)20)15(18-10)17-9-12-8-11-4-2-3-5-14(11)21-12/h2-7,12H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeySRGAMYHRHJPQQQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.50
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid

2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 62710131) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID62710131
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-13(16(19)20)15(18-10)17-9-12-8-11-4-2-3-5-14(11)21-12/h2-7,12H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeySRGAMYHRHJPQQQ-UHFFFAOYSA-N
XLogP2.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
4-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 114907271
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80822499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
CID 62233203
4-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80726070
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80797490
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099790
methyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569197

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid (CID 62710131) is 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is SRGAMYHRHJPQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-7-13(16(19)20)15(18-10)17-9-12-8-11-4-2-3-5-14(11)21-12/h2-7,12H,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62710131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).