5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid

C15H15ClN2O2 — CID 62305236

IUPAC5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)cc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(9-17-14)15(19)20/h3-9,13H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyQBDOMFCFUDBTAG-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.00
Rot. Bonds5

About 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid

5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid (PubChem CID 62305236) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
PubChem CID62305236
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)cc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(9-17-14)15(19)20/h3-9,13H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyQBDOMFCFUDBTAG-UHFFFAOYSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 63539534
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 79249861
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009
5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
(3S)-3-[[5-chloro-6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]amino]-3-(4-ethylsulfonylphenyl)propanoic acid
CID 166650309

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid (CID 62305236) is 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid is CCC(Nc1ncc(C(=O)O)cc1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is QBDOMFCFUDBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(9-17-14)15(19)20/h3-9,13H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid?
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 62305236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).