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

C13H19N3O3 — CID 62238876

IUPAC6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCCC(C)NC(=O)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-3-9(2)15-12(17)7-8-14-11-6-4-5-10(16-11)13(18)19/h4-6,9H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFUYBOVLOPMCMRY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds7

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

6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (PubChem CID 62238876) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
PubChem CID62238876
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCCC(C)NC(=O)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-3-9(2)15-12(17)7-8-14-11-6-4-5-10(16-11)13(18)19/h4-6,9H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFUYBOVLOPMCMRY-UHFFFAOYSA-N
XLogP1.50
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
CID 113410686
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]benzoic acid
CID 115545678
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (CID 62238876) is 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is CCC(C)NC(=O)CCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The InChIKey is FUYBOVLOPMCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-9(2)15-12(17)7-8-14-11-6-4-5-10(16-11)13(18)19/h4-6,9H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62238876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).