6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid

C17H20N2O4 — CID 25189521

IUPAC6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)Nc2ccc(C(=O)O)cn2)oc1C(C)C
InChIInChI=1S/C17H20N2O4/c1-9(2)12-7-13(23-15(12)10(3)4)16(20)19-14-6-5-11(8-18-14)17(21)22/h5-10H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyWZELQLJNXFIVRC-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.87
Rot. Bonds5

About 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid

6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 25189521) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID25189521
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)Nc2ccc(C(=O)O)cn2)oc1C(C)C
InChIInChI=1S/C17H20N2O4/c1-9(2)12-7-13(23-15(12)10(3)4)16(20)19-14-6-5-11(8-18-14)17(21)22/h5-10H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyWZELQLJNXFIVRC-UHFFFAOYSA-N
XLogP3.87
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4,5-di(propan-2-yl)furan-2-yl]-2-oxoethyl]benzoic acid
CID 58420543
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
CID 142197580
6-[(2-hydroxy-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317558
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 71496573
6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 113452818
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981

Frequently Asked Questions

What is the IUPAC name of 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid (CID 25189521) is 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)cn2)oc1C(C)C.
What is the InChIKey of 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is WZELQLJNXFIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9(2)12-7-13(23-15(12)10(3)4)16(20)19-14-6-5-11(8-18-14)17(21)22/h5-10H,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 25189521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).