3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide

C11H13Cl2N3O2 — CID 47215448

IUPAC3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O2/c1-16(2)9(17)5-6-14-11(18)10-7(12)3-4-8(13)15-10/h3-4H,5-6H2,1-2H3,(H,14,18)
InChIKeyIFQJEXHBFXKLBO-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.60
Rot. Bonds4

About 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide

3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 47215448) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
PubChem CID47215448
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O2/c1-16(2)9(17)5-6-14-11(18)10-7(12)3-4-8(13)15-10/h3-4H,5-6H2,1-2H3,(H,14,18)
InChIKeyIFQJEXHBFXKLBO-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate
CID 47123964
3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 46597760
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide (CID 47215448) is 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide is CN(C)C(=O)CCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide?
The InChIKey is IFQJEXHBFXKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-16(2)9(17)5-6-14-11(18)10-7(12)3-4-8(13)15-10/h3-4H,5-6H2,1-2H3,(H,14,18).
What are the key properties of 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 290.15 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 47215448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).