5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid

C17H16N2O4 — CID 124606063

IUPAC5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC[C@H]1CCOc2ccccc21)c1ccc(C(=O)O)nc1
InChIInChI=1S/C17H16N2O4/c20-16(12-5-6-14(17(21)22)18-10-12)19-9-11-7-8-23-15-4-2-1-3-13(11)15/h1-6,10-11H,7-9H2,(H,19,20)(H,21,22)/t11-/m1/s1
InChIKeyCQEXHZDITWZDCE-LLVKDONJSA-N
MW312.33 g/mol
LogP2.08
Rot. Bonds4

About 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid

5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 124606063) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID124606063
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC[C@H]1CCOc2ccccc21)c1ccc(C(=O)O)nc1
InChIInChI=1S/C17H16N2O4/c20-16(12-5-6-14(17(21)22)18-10-12)19-9-11-7-8-23-15-4-2-1-3-13(11)15/h1-6,10-11H,7-9H2,(H,19,20)(H,21,22)/t11-/m1/s1
InChIKeyCQEXHZDITWZDCE-LLVKDONJSA-N
XLogP2.08
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
CID 126855511
5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
CID 129399359
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 61067039
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfamoyl)benzoic acid
CID 110709324
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 136515525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 126774217

Frequently Asked Questions

What is the IUPAC name of 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 124606063) is 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid is O=C(NC[C@H]1CCOc2ccccc21)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CQEXHZDITWZDCE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(12-5-6-14(17(21)22)18-10-12)19-9-11-7-8-23-15-4-2-1-3-13(11)15/h1-6,10-11H,7-9H2,(H,19,20)(H,21,22)/t11-/m1/s1.
What are the key properties of 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid?
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124606063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).