3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid

C15H15ClN2O2 — CID 104591662

IUPAC3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
SMILESCC(CNc1ccc(Cl)c(C(=O)O)n1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-10(11-5-3-2-4-6-11)9-17-13-8-7-12(16)14(18-13)15(19)20/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyIWFQZTRQYUJUPL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.65
Rot. Bonds5

About 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid

3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid (PubChem CID 104591662) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
PubChem CID104591662
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
SMILESCC(CNc1ccc(Cl)c(C(=O)O)n1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-10(11-5-3-2-4-6-11)9-17-13-8-7-12(16)14(18-13)15(19)20/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyIWFQZTRQYUJUPL-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
N-(2-phenylpropyl)quinolin-2-amine
CID 115569576
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 113407809
3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
CID 114131082
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone
CID 20716181
6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid
CID 104592286
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62170609

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid (CID 104591662) is 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid is CC(CNc1ccc(Cl)c(C(=O)O)n1)c1ccccc1.
What is the InChIKey of 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid?
The InChIKey is IWFQZTRQYUJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(11-5-3-2-4-6-11)9-17-13-8-7-12(16)14(18-13)15(19)20/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid?
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104591662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).