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

C17H18N2O4 — CID 142197580

IUPAC6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C17H18N2O4/c1-10(2)23-14-7-11(3)6-13(8-14)16(20)19-15-5-4-12(9-18-15)17(21)22/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyPYUYFTSDTYGMRQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.13
Rot. Bonds5

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

6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 142197580) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID142197580
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C17H18N2O4/c1-10(2)23-14-7-11(3)6-13(8-14)16(20)19-15-5-4-12(9-18-15)17(21)22/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyPYUYFTSDTYGMRQ-UHFFFAOYSA-N
XLogP3.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489827
6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67765328
6-[(2-methylsulfonyloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 87419927
6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 143828094
6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 71496573
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
N-acetylsulfinyl-6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
CID 142213553
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 11317268
6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 143828092
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid (CID 142197580) is 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid is Cc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is PYUYFTSDTYGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10(2)23-14-7-11(3)6-13(8-14)16(20)19-15-5-4-12(9-18-15)17(21)22/h4-10H,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 142197580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).