6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

C18H21N3O6 — CID 67765328

IUPAC6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(O[C@@H](C)CO)n1
InChIInChI=1S/C18H21N3O6/c1-10(2)26-15-6-13(7-16(21-15)27-11(3)9-22)17(23)20-14-5-4-12(8-19-14)18(24)25/h4-8,10-11,22H,9H2,1-3H3,(H,24,25)(H,19,20,23)/t11-/m0/s1
InChIKeyZXEUDVGYEWHAKA-NSHDSACASA-N
MW375.38 g/mol
LogP1.97
Rot. Bonds8

About 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 67765328) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID67765328
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(O[C@@H](C)CO)n1
InChIInChI=1S/C18H21N3O6/c1-10(2)26-15-6-13(7-16(21-15)27-11(3)9-22)17(23)20-14-5-4-12(8-19-14)18(24)25/h4-8,10-11,22H,9H2,1-3H3,(H,24,25)(H,19,20,23)/t11-/m0/s1
InChIKeyZXEUDVGYEWHAKA-NSHDSACASA-N
XLogP1.97
TPSA130.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 67765328) is 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(O[C@@H](C)CO)n1.
What is the InChIKey of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ZXEUDVGYEWHAKA-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N3O6/c1-10(2)26-15-6-13(7-16(21-15)27-11(3)9-22)17(23)20-14-5-4-12(8-19-14)18(24)25/h4-8,10-11,22H,9H2,1-3H3,(H,24,25)(H,19,20,23)/t11-/m0/s1.
What are the key properties of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67765328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).