6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

C10H13N3O3 — CID 62239044

IUPAC6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-11-9(14)5-6-12-8-4-2-3-7(13-8)10(15)16/h2-4H,5-6H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyRZIPIYQJWYYZQX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.33
Rot. Bonds5

About 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (PubChem CID 62239044) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
PubChem CID62239044
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-11-9(14)5-6-12-8-4-2-3-7(13-8)10(15)16/h2-4H,5-6H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyRZIPIYQJWYYZQX-UHFFFAOYSA-N
XLogP0.33
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (CID 62239044) is 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is CNC(=O)CCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The InChIKey is RZIPIYQJWYYZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-9(14)5-6-12-8-4-2-3-7(13-8)10(15)16/h2-4H,5-6H2,1H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62239044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).