6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid

C20H24N2O5 — CID 10044792

IUPAC6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyRTMFZNZPHCZAFG-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.85
Rot. Bonds8

About 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid

6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 10044792) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID10044792
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyRTMFZNZPHCZAFG-UHFFFAOYSA-N
XLogP3.85
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Gka-50
CID 11340230
(S)-6-(3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11751490
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
N-(5-iodopyridin-2-yl)-3,5-dimethoxybenzamide
CID 6457730
6-(3-Isopropoxy-5-(2-(3-thienyl)ethoxy)benzamido)nicotinic acid
CID 9954194
6-(3,5-Bis-benzyloxy-benzoylamino)-nicotinic acid
CID 10161315
6-(3-Isopropoxy-5-phenoxybenzamido)nicotinic acid
CID 11188508
(S)-6-(3-(1-methoxypropan-2-yloxy)-5-phenoxybenzamido)nicotinic acid
CID 11235541
(S)-6-(3-(3-fluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11270610
6-(3-((S)-1-methoxypropan-2-yloxy)-5-((R)-2-phenylpropoxy)benzamido)nicotinic acid
CID 11294219
6-(3-((S)-1-(5-chlorofuran-2-yl)propan-2-yloxy)-5-((S)-1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11340776

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid (CID 10044792) is 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid is CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is RTMFZNZPHCZAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 10044792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).