3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid

C13H18ClN3O3 — CID 107061850

IUPAC3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H18ClN3O3/c14-11-10(13(18)19)2-4-16-12(11)15-3-1-5-17-6-8-20-9-7-17/h2,4H,1,3,5-9H2,(H,15,16)(H,18,19)
InChIKeyCSKRXACIDUXMLV-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.57
Rot. Bonds6

About 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid

3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid (PubChem CID 107061850) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
PubChem CID107061850
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H18ClN3O3/c14-11-10(13(18)19)2-4-16-12(11)15-3-1-5-17-6-8-20-9-7-17/h2,4H,1,3,5-9H2,(H,15,16)(H,18,19)
InChIKeyCSKRXACIDUXMLV-UHFFFAOYSA-N
XLogP1.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2-bromo-3-fluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107539960

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid (CID 107061850) is 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCCN2CCOCC2)c1Cl.
What is the InChIKey of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid?
The InChIKey is CSKRXACIDUXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c14-11-10(13(18)19)2-4-16-12(11)15-3-1-5-17-6-8-20-9-7-17/h2,4H,1,3,5-9H2,(H,15,16)(H,18,19).
What are the key properties of 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid?
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid has a molecular weight of 299.76 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107061850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).