3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid

C18H20N2O4 — CID 119252399

IUPAC3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cn1
InChIInChI=1S/C18H20N2O4/c1-12(2)24-16-9-6-14(11-19-16)18(23)20-15-7-3-13(4-8-15)5-10-17(21)22/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPPCCFQDRQKKPTL-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.14
Rot. Bonds7

About 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid

3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 119252399) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID119252399
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cn1
InChIInChI=1S/C18H20N2O4/c1-12(2)24-16-9-6-14(11-19-16)18(23)20-15-7-3-13(4-8-15)5-10-17(21)22/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPPCCFQDRQKKPTL-UHFFFAOYSA-N
XLogP3.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic 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

3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
CID 119252327
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
CID 54780630

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid (CID 119252399) is 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid is CC(C)Oc1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cn1.
What is the InChIKey of 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is PPCCFQDRQKKPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)24-16-9-6-14(11-19-16)18(23)20-15-7-3-13(4-8-15)5-10-17(21)22/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 119252399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).