3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid

C19H16N2O5 — CID 167753495

IUPAC3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(C(=O)Nc3cccnc3C(=O)O)o2)cc1
InChIInChI=1S/C19H16N2O5/c1-12-4-6-13(7-5-12)25-11-14-8-9-16(26-14)18(22)21-15-3-2-10-20-17(15)19(23)24/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyBSOYPXCTTUBOLH-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.51
Rot. Bonds6

About 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid

3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 167753495) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID167753495
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(C(=O)Nc3cccnc3C(=O)O)o2)cc1
InChIInChI=1S/C19H16N2O5/c1-12-4-6-13(7-5-12)25-11-14-8-9-16(26-14)18(22)21-15-3-2-10-20-17(15)19(23)24/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyBSOYPXCTTUBOLH-UHFFFAOYSA-N
XLogP3.51
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9467409
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 167753495) is 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid is Cc1ccc(OCc2ccc(C(=O)Nc3cccnc3C(=O)O)o2)cc1.
What is the InChIKey of 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is BSOYPXCTTUBOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-4-6-13(7-5-12)25-11-14-8-9-16(26-14)18(22)21-15-3-2-10-20-17(15)19(23)24/h2-10H,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid?
3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 167753495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).