5-(2-aminopentanoylamino)pyridine-3-carboxylic acid

C11H15N3O3 — CID 55164466

IUPAC5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
SMILESCCCC(N)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-2-3-9(12)10(15)14-8-4-7(11(16)17)5-13-6-8/h4-6,9H,2-3,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyNJWXRARGCWFBFW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds5

About 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid

5-(2-aminopentanoylamino)pyridine-3-carboxylic acid (PubChem CID 55164466) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
PubChem CID55164466
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
SMILESCCCC(N)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-2-3-9(12)10(15)14-8-4-7(11(16)17)5-13-6-8/h4-6,9H,2-3,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyNJWXRARGCWFBFW-UHFFFAOYSA-N
XLogP0.85
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
3-[[(2S)-2-aminopentanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 103869561
5-(2-aminohexanoylamino)benzene-1,3-dicarboxylic acid
CID 61160490
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 103869217
2-amino-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709270
5-(octan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158184
5-[[(2S)-2-aminopentanoyl]amino]-2,3-dimethylbenzoic acid
CID 107569648
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid (CID 55164466) is 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid is CCCC(N)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid?
The InChIKey is NJWXRARGCWFBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-9(12)10(15)14-8-4-7(11(16)17)5-13-6-8/h4-6,9H,2-3,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid?
5-(2-aminopentanoylamino)pyridine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopentanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 55164466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).