5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C17H20N2O4 — CID 122107716

IUPAC5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(C(C)(C)C)cn2)cc1C(=O)O
InChIInChI=1S/C17H20N2O4/c1-10-13(16(21)22)7-12(23-10)9-19-15(20)14-6-5-11(8-18-14)17(2,3)4/h5-8H,9H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyMQXQPWQPRPSTBN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.91
Rot. Bonds4

About 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 122107716) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID122107716
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(C(C)(C)C)cn2)cc1C(=O)O
InChIInChI=1S/C17H20N2O4/c1-10-13(16(21)22)7-12(23-10)9-19-15(20)14-6-5-11(8-18-14)17(2,3)4/h5-8H,9H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyMQXQPWQPRPSTBN-UHFFFAOYSA-N
XLogP2.91
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226259
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110203
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[[4-(tert-butylsulfamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226308
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
5-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023267
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 122107716) is 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)c2ccc(C(C)(C)C)cn2)cc1C(=O)O.
What is the InChIKey of 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is MQXQPWQPRPSTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-13(16(21)22)7-12(23-10)9-19-15(20)14-6-5-11(8-18-14)17(2,3)4/h5-8H,9H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 122107716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).