6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid

C20H25N3O5 — CID 143828094

IUPAC6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(OC(C)C)n1
InChIInChI=1S/C20H25N3O5/c1-5-15(6-2)28-18-10-14(9-17(23-18)27-12(3)4)19(24)22-16-8-7-13(11-21-16)20(25)26/h7-12,15H,5-6H2,1-4H3,(H,25,26)(H,21,22,24)
InChIKeyZZWHUWXZNSWBPF-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.78
Rot. Bonds9

About 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid

6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 143828094) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID143828094
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(OC(C)C)n1
InChIInChI=1S/C20H25N3O5/c1-5-15(6-2)28-18-10-14(9-17(23-18)27-12(3)4)19(24)22-16-8-7-13(11-21-16)20(25)26/h7-12,15H,5-6H2,1-4H3,(H,25,26)(H,21,22,24)
InChIKeyZZWHUWXZNSWBPF-UHFFFAOYSA-N
XLogP3.78
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

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-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489827
6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 143828092
6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 71496573
2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
CID 143828066
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
CID 142197580
6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67765314
6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489750
methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate
CID 67765319
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid (CID 143828094) is 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid is CCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(OC(C)C)n1.
What is the InChIKey of 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZZWHUWXZNSWBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-5-15(6-2)28-18-10-14(9-17(23-18)27-12(3)4)19(24)22-16-8-7-13(11-21-16)20(25)26/h7-12,15H,5-6H2,1-4H3,(H,25,26)(H,21,22,24).
What are the key properties of 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 143828094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).