5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid

C15H17N3O3 — CID 114406914

IUPAC5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(C(C)Nc2nc(C(=O)O)ccc2N)cc1
InChIInChI=1S/C15H17N3O3/c1-9(10-3-5-11(21-2)6-4-10)17-14-12(16)7-8-13(18-14)15(19)20/h3-9H,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJMANPOXAZDPLSF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.54
Rot. Bonds5

About 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid

5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114406914) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
PubChem CID114406914
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(C(C)Nc2nc(C(=O)O)ccc2N)cc1
InChIInChI=1S/C15H17N3O3/c1-9(10-3-5-11(21-2)6-4-10)17-14-12(16)7-8-13(18-14)15(19)20/h3-9H,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJMANPOXAZDPLSF-UHFFFAOYSA-N
XLogP2.54
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 114405610
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
5-amino-6-(4-methoxy-N-methylanilino)pyridine-2-carboxylic acid
CID 114406275
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid (CID 114406914) is 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid is COc1ccc(C(C)Nc2nc(C(=O)O)ccc2N)cc1.
What is the InChIKey of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is JMANPOXAZDPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(10-3-5-11(21-2)6-4-10)17-14-12(16)7-8-13(18-14)15(19)20/h3-9H,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114406914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).