5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid

C15H16N2O5 — CID 120527206

IUPAC5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(C)Oc1cccc(C(=O)NCc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C15H16N2O5/c1-9(2)21-13-5-3-4-11(17-13)14(18)16-8-10-6-7-12(22-10)15(19)20/h3-7,9H,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyHVQUWGDNLQGWRI-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.09
Rot. Bonds6

About 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 120527206) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID120527206
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(C)Oc1cccc(C(=O)NCc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C15H16N2O5/c1-9(2)21-13-5-3-4-11(17-13)14(18)16-8-10-6-7-12(22-10)15(19)20/h3-7,9H,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyHVQUWGDNLQGWRI-UHFFFAOYSA-N
XLogP2.09
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528974
5-[[(3-bromo-5-propan-2-yloxybenzoyl)amino]methyl]furan-2-carboxylic acid
CID 119246089
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
5-[[2-(3-propan-2-ylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246296
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 120527206) is 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid is CC(C)Oc1cccc(C(=O)NCc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is HVQUWGDNLQGWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9(2)21-13-5-3-4-11(17-13)14(18)16-8-10-6-7-12(22-10)15(19)20/h3-7,9H,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120527206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).