2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide

C12H15Cl2N3O2 — CID 61149972

IUPAC2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-2-4-15-11(18)3-5-16-12(19)8-6-9(13)17-10(14)7-8/h6-7H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyHOKXNONDKXEBQM-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.03
Rot. Bonds6

About 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide

2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide (PubChem CID 61149972) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
PubChem CID61149972
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-2-4-15-11(18)3-5-16-12(19)8-6-9(13)17-10(14)7-8/h6-7H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyHOKXNONDKXEBQM-UHFFFAOYSA-N
XLogP2.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 99606290
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
3,5-dichloro-N-propylbenzamide
CID 2767298
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
3,5-diamino-N-propylbenzamide
CID 20701636

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide (CID 61149972) is 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide is CCCNC(=O)CCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
The InChIKey is HOKXNONDKXEBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-2-4-15-11(18)3-5-16-12(19)8-6-9(13)17-10(14)7-8/h6-7H,2-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide has a molecular weight of 304.18 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 61149972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).