5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid

C14H13N3O4 — CID 82061059

IUPAC5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
SMILESCc1cc(Nc2cc(C(=O)O)cc(C(=O)O)c2)ncc1N
InChIInChI=1S/C14H13N3O4/c1-7-2-12(16-6-11(7)15)17-10-4-8(13(18)19)3-9(5-10)14(20)21/h2-6H,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyXKZZRFANFBUYPU-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.11
Rot. Bonds4

About 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid

5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 82061059) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID82061059
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
SMILESCc1cc(Nc2cc(C(=O)O)cc(C(=O)O)c2)ncc1N
InChIInChI=1S/C14H13N3O4/c1-7-2-12(16-6-11(7)15)17-10-4-8(13(18)19)3-9(5-10)14(20)21/h2-6H,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyXKZZRFANFBUYPU-UHFFFAOYSA-N
XLogP2.11
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
N-(5-amino-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 18525004
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
N-(5-amino-4-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 61293151
2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
CID 79173022
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid (CID 82061059) is 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid is Cc1cc(Nc2cc(C(=O)O)cc(C(=O)O)c2)ncc1N.
What is the InChIKey of 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is XKZZRFANFBUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-7-2-12(16-6-11(7)15)17-10-4-8(13(18)19)3-9(5-10)14(20)21/h2-6H,15H2,1H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid?
5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 82061059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).