1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide

C12H13Cl2N3O2 — CID 61053437

IUPAC1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H13Cl2N3O2/c1-15-11(18)8-3-2-4-17(8)12(19)7-5-9(13)16-10(14)6-7/h5-6,8H,2-4H2,1H3,(H,15,18)
InChIKeyWTKQYRAOUNSISL-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.74
Rot. Bonds2

About 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide

1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 61053437) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID61053437
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H13Cl2N3O2/c1-15-11(18)8-3-2-4-17(8)12(19)7-5-9(13)16-10(14)6-7/h5-6,8H,2-4H2,1H3,(H,15,18)
InChIKeyWTKQYRAOUNSISL-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.74
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

1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
(2S)-1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114036548
1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 113378308
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
N-methyl-1-[5-(methylamino)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 171851711
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 61072247
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 113231971
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 61053437) is 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is WTKQYRAOUNSISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-15-11(18)8-3-2-4-17(8)12(19)7-5-9(13)16-10(14)6-7/h5-6,8H,2-4H2,1H3,(H,15,18).
What are the key properties of 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61053437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).