6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid

C17H20N4O5 — CID 71496573

IUPAC6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)nc(OC(C)C)n1
InChIInChI=1S/C17H20N4O5/c1-9(2)25-14-7-12(19-17(21-14)26-10(3)4)15(22)20-13-6-5-11(8-18-13)16(23)24/h5-10H,1-4H3,(H,23,24)(H,18,20,22)
InChIKeyVNMOZPSHGPIUSJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.40
Rot. Bonds7

About 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 71496573) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID71496573
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)nc(OC(C)C)n1
InChIInChI=1S/C17H20N4O5/c1-9(2)25-14-7-12(19-17(21-14)26-10(3)4)15(22)20-13-6-5-11(8-18-13)16(23)24/h5-10H,1-4H3,(H,23,24)(H,18,20,22)
InChIKeyVNMOZPSHGPIUSJ-UHFFFAOYSA-N
XLogP2.40
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pentan-3-yloxy-6-propan-2-yloxypyridine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 143828094
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-[(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
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-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252

Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 71496573) is 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)nc(OC(C)C)n1.
What is the InChIKey of 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is VNMOZPSHGPIUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-9(2)25-14-7-12(19-17(21-14)26-10(3)4)15(22)20-13-6-5-11(8-18-13)16(23)24/h5-10H,1-4H3,(H,23,24)(H,18,20,22).
What are the key properties of 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-di(propan-2-yloxy)pyrimidine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 71496573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).